0 B8R0.23 BC(CC(=O)O)C(=O)O Amb28287358 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.23 C=C(Br)CC(N)C(=O)O Amb24557771 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O Amb22746251 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.23 C=C(Br)C[C@H](N)C(=O)O Amb25918807 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.23 C=C(Br)[C@@H](O)CC(=O)O Amb27392180 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.23 C=C(C)C(C)CC(=O)O Amb18642614 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.23 C=C(C)C(C)CC(C)=O Amb27607290 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.23 C=C(C)C(N)CC(=O)O Amb2697570 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.23 C=C(C)C(N)CC(N)=O Amb24401112 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.23 C=C(C)C(O)CC(=O)O Amb18642756 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.23 C=C(C)C(O)CC(C)=O Amb27605750 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.23 C=C(C)CC(=O)C(=O)O Amb28073130 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.23 C=C(C)CC(C)C(=O)O Amb24471924 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.23 C=C(C)CC(C)C(C)=O Amb28203090 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.23 C=C(C)CC(Cl)C(C)=O Amb27458140 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.23 C=C(C)CC(N)C(=O)O Amb6280366 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.23 C=C(C)CC(N)C(N)=O Amb26326676 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.23 C=C(C)CC(O)C(=O)O Amb24534477 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.23 C=C(C)C[C@@H](C)C(=O)O Amb24340253 [0,0,0,0,0,0|3,0,0]=3 19 B8R0.23 C=C(C)C[C@@H](N)C(=O)O Amb22801689 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.23 C=C(C)C[C@H](C)C(=O)O Amb10843988 [0,0,0,0,0,0|3,0,0]=3 21 B8R0.23 C=C(C)C[C@H](N)C(=O)O Amb25757900 [0,0,0,0,0,0|2,0,0]=2 22 B8R0.23 C=C(C)[C@@H](O)CC(=O)O Amb25789715 [0,0,0,0,0,0|3,0,0]=3 23 B8R0.23 C=C(C)[C@@H](O)CC(C)=O Amb26477424 [0,0,0,0,0,0|4,0,0]=4 24 B8R0.23 C=C(C)[C@H](C)CC(=O)O Amb27447241 [0,0,0,0,0,0|3,0,0]=3 25 B8R0.23 C=C(C)[C@H](O)CC(=O)O Amb28286173 [0,0,0,0,0,0|3,0,0]=3 26 B8R0.23 C=C(C)[C@H](O)CC(C)=O Amb27409964 [0,0,0,0,0,0|4,0,0]=4 27 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl Amb17938995 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.23 C=C(CC(=O)O)C(=O)O Amb6608656 [0,0,0,0,0,0|1,0,1]=2 29 B8R0.23 C=C(CC(=O)O)C(C)=O Amb27831643 [0,0,0,0,0,0|2,0,1]=3 30 B8R0.23 C=C(CC(=O)O)C(N)=O Amb22011744 [0,0,0,0,0,0|2,0,1]=3 31 B8R0.23 C=C(CN(C)O)C(=O)O Amb27640409 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb24411473 [0,0,0,0,0,0|2,0,0]=2 33 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb28935021 [0,0,0,0,0,0|2,0,0]=2 34 B8R0.23 C=C(Cl)CC(N)C(N)=O Amb33308519 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660529 [0,0,0,0,0,0|2,0,0]=2 36 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660530 [0,0,0,0,0,0|2,0,0]=2 37 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb28059492 [0,0,0,0,0,0|2,0,0]=2 38 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb32656263 [0,0,0,0,0,0|2,0,0]=2 39 B8R0.23 C=C(F)CC(C)C(=O)O Amb27975781 [0,0,0,0,0,0|3,0,0]=3 40 B8R0.23 C=C(F)CC(Cl)C(=O)O Amb27876022 [0,0,0,0,0,0|3,0,0]=3 41 B8R0.23 C=C(F)C[C@@H](N)C(=O)O Amb27771842 [0,0,0,0,0,0|2,0,0]=2 42 B8R0.23 C=C(NC(C)=O)C(=O)O Amb8513049 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.23 C=C(O)CC(O)C(O)O Amb24730260 [0,0,0,0,0,0|2,0,2]=4 44 B8R0.23 CC(=O)C(=O)CC(=O)O Amb17593364 [0,0,0,0,0,0|2,0,1]=3 45 B8R0.23 CC(=O)C(Br)CC(=O)O Amb27834306 [0,0,0,0,0,0|2,0,0]=2 46 B8R0.23 CC(=O)C(C)CC(=O)O Amb18292788 [0,0,0,0,0,0|2,0,0]=2 47 B8R0.23 CC(=O)C(C)NC(N)=O Amb27778024 [0,0,0,0,0,0|4,0,0]=4 48 B8R0.23 CC(=O)C(C)SC(=O)Cl Amb32679654 [0,0,0,0,0,0|4,0,0]=4 49 B8R0.23 CC(=O)C(Cl)CC(C)O Amb27454439 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.23 CC(=O)C(Cl)C[N+](=O)[O-] Amb27954705 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [0,0,0,0,0,0|1,0,0]=1 52 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,0,0,0,0,0|2,0,0]=2 53 B8R0.23 CC(=O)C(O)CC(=O)O Amb25341886 [0,0,0,0,0,0|2,0,0]=2 54 B8R0.23 CC(=O)CC(=O)C(=O)O Amb18642736 [0,0,0,0,0,0|2,0,1]=3 55 B8R0.23 CC(=O)CC(=O)C(C)=O Amb25806867 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [0,0,0,0,0,0|2,0,0]=2 57 B8R0.23 CC(=O)CC(C)C(C)=O Amb26490545 [0,0,0,0,0,0|3,0,0]=3 58 B8R0.23 CC(=O)CC(C)[N+](=O)[O-] Amb27210764 [0,0,0,0,0,0|3,0,1]=4 59 B8R0.23 CC(=O)CC(N)C(=O)O Amb18832532 [0,0,0,0,0,0|1,0,0]=1 60 B8R0.23 CC(=O)CC(N)C(=O)O Amb22546289 [0,0,0,0,0,0|1,0,0]=1 61 B8R0.23 CC(=O)CC(N)C(C)C Amb27409984 [0,0,0,0,0,0|3,0,1]=4 62 B8R0.23 CC(=O)CC(N)C(N)=O Amb27485103 [0,0,0,0,0,0|2,0,0]=2 63 B8R0.23 CC(=O)CC(O)C(=O)O Amb22500917 [0,0,0,0,0,0|2,0,0]=2 64 B8R0.23 CC(=O)CN(C)C(C)=O Amb27267241 [0,0,0,0,0,0|4,0,0]=4 65 B8R0.23 CC(=O)C[C@@H](N)C(=O)O Amb22745939 [0,0,0,0,0,0|1,0,0]=1 66 B8R0.23 CC(=O)C[C@@H](O)C(=O)O Amb26845481 [0,0,0,0,0,0|2,0,0]=2 67 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [0,0,0,0,0,0|2,0,0]=2 68 B8R0.23 CC(=O)C[C@H](C)C(C)=O Amb28051038 [0,0,0,0,0,0|3,0,0]=3 69 B8R0.23 CC(=O)C[C@H](N)C(=O)O Amb27832342 [0,0,0,0,0,0|1,0,0]=1 70 B8R0.23 CC(=O)C[C@H](O)C(=O)O Amb24358758 [0,0,0,0,0,0|2,0,0]=2 71 B8R0.23 CC(=O)N(C)CC(=O)O Amb33526797 [0,0,0,0,0,0|3,0,0]=3 72 B8R0.23 CC(=O)N(C)CC(N)=O Amb8999134 [0,0,0,0,0,0|4,0,0]=4 73 B8R0.23 CC(=O)N(Cl)CC(=O)O Amb28366945 [0,0,0,0,0,0|3,0,0]=3 74 B8R0.23 CC(=O)NC(Br)C(C)=O Amb28285135 [0,0,0,0,0,0|4,0,0]=4 75 B8R0.23 CC(=O)NC(C)C(=O)O Amb9745652 [0,0,0,0,0,0|3,0,0]=3 76 B8R0.23 CC(=O)NC(C)C(C)=O Amb3093787 [0,0,0,0,0,0|4,0,0]=4 77 B8R0.23 CC(=O)NC(C)C(N)=O Amb4018750 [0,0,0,0,0,0|4,0,0]=4 78 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Amb8390375 [0,0,0,0,0,0|3,0,0]=3 79 B8R0.23 CC(=O)N[C@@H](C)C(N)=O Amb22168264 [0,0,0,0,0,0|4,0,0]=4 80 B8R0.23 CC(=O)N[C@H](C)C(=O)O Amb19944277 [0,0,0,0,0,0|3,0,0]=3 81 B8R0.23 CC(=O)OC(C)C(=O)Cl Amb25920188 [0,0,0,0,0,0|4,0,0]=4 82 B8R0.23 CC(=O)OC(C)C(=O)O Amb22360672 [0,0,0,0,0,0|3,0,0]=3 83 B8R0.23 CC(=O)OC(C)C(C)=O Amb4021650 [0,0,0,0,0,0|4,0,0]=4 84 B8R0.23 CC(=O)OC(C)C(N)=O Amb27179906 [0,0,0,0,0,0|4,0,0]=4 85 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl Amb3939242 [0,0,0,0,0,0|4,0,0]=4 86 B8R0.23 CC(=O)O[C@@H](C)C(=O)O Amb3938984 [0,0,0,0,0,0|3,0,0]=3 87 B8R0.23 CC(=O)O[C@@H](C)C(C)=O Amb26074254 [0,0,0,0,0,0|4,0,0]=4 88 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl Amb27411067 [0,0,0,0,0,0|4,0,0]=4 89 B8R0.23 CC(=O)O[C@H](C)C(=O)O Amb26458759 [0,0,0,0,0,0|3,0,0]=3 90 B8R0.23 CC(=O)O[C@H](C)C(N)=O Amb27227531 [0,0,0,0,0,0|4,0,0]=4 91 B8R0.23 CC(=O)S[C@@H](C)C(=O)O Amb26639910 [0,0,0,0,0,0|3,0,0]=3 92 B8R0.23 CC(=O)S[C@H](C)C(=O)O Amb28118658 [0,0,0,0,0,0|3,0,0]=3 93 B8R0.23 CC(=O)[C@@H](N)CC(C)C Amb28344512 [0,0,0,0,0,0|3,0,1]=4 94 B8R0.23 CC(=O)[C@@H](N)CC(N)=O Amb28044564 [0,0,0,0,0,0|2,0,0]=2 95 B8R0.23 CC(=O)[C@@H](O)CC(=O)O Amb28398474 [0,0,0,0,0,0|2,0,0]=2 96 B8R0.23 CC(=O)[C@H](C)CC(=O)O Amb25360184 [0,0,0,0,0,0|2,0,0]=2 97 B8R0.23 CC(=O)[C@H](N)CC(C)C Amb27490707 [0,0,0,0,0,0|3,0,1]=4 98 B8R0.23 CC(=O)\C(Br)=C\C(=O)O Amb27983634 [0,0,0,0,0,0|2,0,2]=4 99 B8R0.23 CC(=O)\C(C)=C\C(=O)O Amb27838567 [0,0,0,0,0,0|2,0,2]=4 100 B8R0.23 CC(=O)\C=C(/C)C(=O)O Amb18642577 [0,0,0,0,0,0|2,0,2]=4 101 B8R0.23 CC(=O)\C=C(/N)C(=O)O Amb28206217 [0,0,0,0,0,0|1,0,2]=3 102 B8R0.23 CC(=O)\C=C(/O)C(=O)O Amb28122229 [0,0,0,0,0,0|2,0,2]=4 103 B8R0.23 CC(=O)\C=C(\Br)C(=O)O Amb27419942 [0,0,0,0,0,0|2,0,2]=4 104 B8R0.23 CC(=O)\C=C(\O)C(=O)O Amb25856143 [0,0,0,0,0,0|2,0,2]=4 105 B8R0.23 CC(=S)NC(C)C(=O)O Amb27876447 [0,0,0,0,0,0|3,1,0]=4 106 B8R0.23 CC(Br)CC(C)C(=O)O Amb27760411 [0,0,0,0,0,0|3,0,1]=4 107 B8R0.23 CC(C)=C(C)CC(=O)O Amb18642613 [0,0,0,0,0,0|3,0,1]=4 108 B8R0.23 CC(C)=CC(O)C(=O)O Amb28346343 [0,0,0,0,0,0|3,0,1]=4 109 B8R0.23 CC(C)=C[C@@H](O)C(=O)O Amb27228179 [0,0,0,0,0,0|3,0,1]=4 110 B8R0.23 CC(C)=C[C@H](O)C(=O)O Amb27473652 [0,0,0,0,0,0|3,0,1]=4 111 B8R0.23 CC(C)C(C)CC(=O)O Amb10844380 [0,0,0,0,0,0|3,0,1]=4 112 B8R0.23 CC(C)C(Cl)CC(=O)O Amb27974166 [0,0,0,0,0,0|3,0,1]=4 113 B8R0.23 CC(C)C(N)CC(=O)O Amb2436060 [0,0,0,0,0,0|2,0,1]=3 114 B8R0.23 CC(C)C(N)CC(=O)O Amb31307617 [0,0,0,0,0,0|2,0,1]=3 115 B8R0.23 CC(C)C(N)CC(N)=O Amb18296021 [0,0,0,0,0,0|3,0,1]=4 116 B8R0.23 CC(C)C(O)CC(=O)O Amb17231878 [0,0,0,0,0,0|3,0,1]=4 117 B8R0.23 CC(C)CC(Br)C(=O)O Amb16233356 [0,0,0,0,0,0|3,0,1]=4 118 B8R0.23 CC(C)CC(C)C(=O)O Amb18975244 [0,0,0,0,0,0|3,0,1]=4 119 B8R0.23 CC(C)CC(Cl)C(=O)O Amb17593753 [0,0,0,0,0,0|3,0,1]=4 120 B8R0.23 CC(C)CC(F)C(=O)O Amb24565634 [0,0,0,0,0,0|3,0,1]=4 121 B8R0.23 CC(C)CC(N)C(=O)O Amb9703094 [0,0,0,0,0,0|2,0,1]=3 122 B8R0.23 CC(C)CC(N)C(N)=O Amb6334827 [0,0,0,0,0,0|3,0,1]=4 123 B8R0.23 CC(C)CC(N)C(N)=O Amb9729639 [0,0,0,0,0,0|3,0,1]=4 124 B8R0.23 CC(C)CC(N)[PH](=O)O Amb27831348 [0,0,0,0,0,0|3,0,1]=4 125 B8R0.23 CC(C)CC(O)C(=O)O Amb2694726 [0,0,0,0,0,0|3,0,1]=4 126 B8R0.23 CC(C)CC(S)C(=O)O Amb18296292 [0,0,0,0,0,0|3,0,1]=4 127 B8R0.23 CC(C)C[C@@H](C)C(=O)O Amb10844070 [0,0,0,0,0,0|3,0,1]=4 128 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O Amb22800398 [0,0,0,0,0,0|3,0,1]=4 129 B8R0.23 CC(C)C[C@@H](F)C(=O)O Amb24616998 [0,0,0,0,0,0|3,0,1]=4 130 B8R0.23 CC(C)C[C@@H](N)C(=O)O Amb2720579 [0,0,0,0,0,0|2,0,1]=3 131 B8R0.23 CC(C)C[C@@H](N)C(N)=O Amb16183944 [0,0,0,0,0,0|3,0,1]=4 132 B8R0.23 CC(C)C[C@@H](N)C(N)=O Amb22745197 [0,0,0,0,0,0|3,0,1]=4 133 B8R0.23 CC(C)C[C@@H](O)C(=O)O Amb8630052 [0,0,0,0,0,0|3,0,1]=4 134 B8R0.23 CC(C)C[C@@H](S)C(=O)O Amb27786874 [0,0,0,0,0,0|3,0,1]=4 135 B8R0.23 CC(C)C[C@H](Br)C(=O)O Amb22226489 [0,0,0,0,0,0|3,0,1]=4 136 B8R0.23 CC(C)C[C@H](C)C(=O)O Amb10844071 [0,0,0,0,0,0|3,0,1]=4 137 B8R0.23 CC(C)C[C@H](Cl)C(=O)O Amb22388637 [0,0,0,0,0,0|3,0,1]=4 138 B8R0.23 CC(C)C[C@H](F)C(=O)O Amb10841083 [0,0,0,0,0,0|3,0,1]=4 139 B8R0.23 CC(C)C[C@H](N)C(=O)O Amb3499446 [0,0,0,0,0,0|2,0,1]=3 140 B8R0.23 CC(C)C[C@H](N)C(=O)S Amb27810129 [0,0,0,0,0,0|2,1,1]=4 141 B8R0.23 CC(C)C[C@H](N)C(N)=O Amb10670112 [0,0,0,0,0,0|3,0,1]=4 142 B8R0.23 CC(C)C[C@H](N)C(N)=O Amb8515324 [0,0,0,0,0,0|3,0,1]=4 143 B8R0.23 CC(C)C[C@H](O)C(=O)O Amb16232074 [0,0,0,0,0,0|3,0,1]=4 144 B8R0.23 CC(C)[C@@H](C)CC(=O)O Amb27785773 [0,0,0,0,0,0|3,0,1]=4 145 B8R0.23 CC(C)[C@@H](N)CC(=O)O Amb16184030 [0,0,0,0,0,0|2,0,1]=3 146 B8R0.23 CC(C)[C@@H](N)CC(=O)O Amb22226647 [0,0,0,0,0,0|2,0,1]=3 147 B8R0.23 CC(C)[C@@H](N)CC(N)=O Amb28340737 [0,0,0,0,0,0|3,0,1]=4 148 B8R0.23 CC(C)[C@@H](O)CC(=O)O Amb25761246 [0,0,0,0,0,0|3,0,1]=4 149 B8R0.23 CC(C)[C@H](N)CC(=O)O Amb16184024 [0,0,0,0,0,0|2,0,1]=3 150 B8R0.23 CC(C)[C@H](N)CC(=O)O Amb20240790 [0,0,0,0,0,0|2,0,1]=3 151 B8R0.23 CC(C)[C@H](N)CC(N)=O Amb24481857 [0,0,0,0,0,0|3,0,1]=4 152 B8R0.23 CC(C)[C@H](O)CC(=O)O Amb24561913 [0,0,0,0,0,0|3,0,1]=4 153 B8R0.23 CC(CC(=N)N)C(N)=O Amb27209796 [0,0,0,0,0,0|4,0,0]=4 154 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,0,0,0,0,0|3,0,0]=3 155 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [0,0,0,0,0,0|1,0,0]=1 156 B8R0.23 CC(CC(=O)O)C(F)F Amb27441233 [0,0,0,0,0,0|3,0,1]=4 157 B8R0.23 CC(CC(=O)O)C(N)=O Amb25737942 [0,0,0,0,0,0|2,0,0]=2 158 B8R0.23 CC(CC(=O)O)C(N)N Amb27481204 [0,0,0,0,0,0|3,0,1]=4 159 B8R0.23 CC(CC(=O)O)N(C)C Amb8428133 [0,0,0,0,0,0|4,0,0]=4 160 B8R0.23 CC(CC(=O)O)N(C)C Amb9173357 [0,0,0,0,0,0|4,0,0]=4 161 B8R0.23 CC(CC(=O)O)N(C)O Amb27639550 [0,0,0,0,0,0|3,0,0]=3 162 B8R0.23 CC(CC(F)F)C(=O)O Amb22896466 [0,0,0,0,0,0|3,0,1]=4 163 B8R0.23 CC(CC(N)=O)C(=O)O Amb27596628 [0,0,0,0,0,0|2,0,0]=2 164 B8R0.23 CC(CC(N)=O)C(N)=O Amb2720769 [0,0,0,0,0,0|3,0,0]=3 165 B8R0.23 CC(CN(C)C)C(=O)O Amb8428203 [0,0,0,0,0,0|4,0,0]=4 166 B8R0.23 CC(CN(C)C)C(=O)O Amb9173365 [0,0,0,0,0,0|4,0,0]=4 167 B8R0.23 CC(CN(C)N)C(=O)O Amb28145156 [0,0,0,0,0,0|4,0,0]=4 168 B8R0.23 CC(CS(=O)O)C(=O)O Amb28118949 [0,0,0,0,0,0|2,0,0]=2 169 B8R0.23 CC(CS(C)=O)C(=O)O Amb18974546 [0,0,0,0,0,0|3,0,0]=3 170 B8R0.23 CC(CS(C)=O)C(N)=O Amb27981416 [0,0,0,0,0,0|4,0,0]=4 171 B8R0.23 CC(C[PH](=O)O)C(=O)O Amb27477749 [0,0,0,0,0,0|2,0,0]=2 172 B8R0.23 CC(Cl)CC(N)C(=O)O Amb28325413 [0,0,0,0,0,0|2,0,1]=3 173 B8R0.23 CC(N)C(O)CC(=O)O Amb27796214 [0,0,0,0,0,0|3,0,1]=4 174 B8R0.23 CC(N)CC(N)C(=O)O Amb28144636 [0,0,0,0,0,0|2,0,1]=3 175 B8R0.23 CC(N)CC(O)C(=O)O Amb27975686 [0,0,0,0,0,0|3,0,1]=4 176 B8R0.23 CC(NC(=N)N)C(=O)O Amb22522920 [0,0,0,0,0,0|4,0,0]=4 177 B8R0.23 CC(NC(=S)S)C(=O)O Amb25336384 [0,0,0,0,0,0|2,2,0]=4 178 B8R0.23 CC(NC(N)=O)C(=O)O Amb9745673 [0,0,0,0,0,0|3,0,0]=3 179 B8R0.23 CC(N[N+](=O)[O-])C(=O)O Amb27873513 [0,0,0,0,0,0|3,0,1]=4 180 B8R0.23 CC(O)C(N)CC(=O)O Amb27424723 [0,0,0,0,0,0|1,0,1]=2 181 B8R0.23 CC(O)C(N)CC(N)=O Amb27246007 [0,0,0,0,0,0|2,0,1]=3 182 B8R0.23 CC(O)CC(=O)C(=O)O Amb25789747 [0,0,0,0,0,0|2,0,2]=4 183 B8R0.23 CC(O)CC(N)C(=O)O Amb18642918 [0,0,0,0,0,0|1,0,1]=2 184 B8R0.23 CC(O)CC(N)C(N)=O Amb33065888 [0,0,0,0,0,0|2,0,1]=3 185 B8R0.23 CC(O)C[C@@H](N)C(=O)O Amb26985188 [0,0,0,0,0,0|1,0,1]=2 186 B8R0.23 CC(O)C[C@H](N)C(=O)O Amb27185464 [0,0,0,0,0,0|1,0,1]=2 187 B8R0.23 CC(OC(=O)Cl)C(=O)O Amb27241520 [0,0,0,0,0,0|3,0,0]=3 188 B8R0.23 CC(O[N+](=O)[O-])C(=O)O Amb27947983 [0,0,0,0,0,0|3,0,1]=4 189 B8R0.23 CC(\N=C(/N)S)C(=O)O Amb22229340 [0,0,0,0,0,0|3,1,0]=4 190 B8R0.23 CN(C)CC(N)C(=O)O Amb23558085 [0,0,0,0,0,0|3,0,0]=3 191 B8R0.23 CN(C)CC(N)C(=O)O Amb32644516 [0,0,0,0,0,0|3,0,0]=3 192 B8R0.23 CN(C)CC(N)C(=O)O Amb33756799 [0,0,0,0,0,0|3,0,0]=3 193 B8R0.23 CN(C)CC(N)C(N)=O Amb18984335 [0,0,0,0,0,0|4,0,0]=4 194 B8R0.23 CN(C)CC(O)C(=O)O Amb27856754 [0,0,0,0,0,0|4,0,0]=4 195 B8R0.23 CN(C)C[C@@H](N)C(=O)O Amb19889770 [0,0,0,0,0,0|3,0,0]=3 196 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb24078627 [0,0,0,0,0,0|3,0,0]=3 197 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb8515079 [0,0,0,0,0,0|3,0,0]=3 198 B8R0.23 CN(C)C[C@H](O)C(=O)O Amb24372674 [0,0,0,0,0,0|4,0,0]=4 199 B8R0.23 CN(CC(=O)O)C(=N)N Amb22167307 [0,0,0,0,0,0|4,0,0]=4 200 B8R0.23 CN(CC(=O)O)C(=N)N Amb3940365 [0,0,0,0,0,0|4,0,0]=4 201 B8R0.23 CN(CC(=O)O)C(=N)N Amb5638543 [0,0,0,0,0,0|4,0,0]=4 202 B8R0.23 CN(CC(=O)O)C(=O)Cl Amb27484119 [0,0,0,0,0,0|3,0,0]=3 203 B8R0.23 CN(CC(=O)O)C(=S)S Amb1042470 [0,0,0,0,0,0|2,2,0]=4 204 B8R0.23 CN(CC(=O)O)C(N)=O Amb2371395 [0,0,0,0,0,0|3,0,0]=3 205 B8R0.23 CN(CC(=O)O)S(C)=O Amb27862060 [0,0,0,0,0,0|4,0,0]=4 206 B8R0.23 CN(CC(=O)O)[N+](=O)[O-] Amb27154042 [0,0,0,0,0,0|3,0,1]=4 207 B8R0.23 CS(=N)C[C@H](N)C(=O)O Amb27838573 [0,0,0,0,0,0|3,0,0]=3 208 B8R0.23 CS(=O)CC(N)C(=O)O Amb18125279 [0,0,0,0,0,0|2,0,0]=2 209 B8R0.23 CS(=O)CC(N)C(N)=O Amb27608115 [0,0,0,0,0,0|3,0,0]=3 210 B8R0.23 CS(=O)C[C@@H](N)C(=O)O Amb22745418 [0,0,0,0,0,0|2,0,0]=2 211 B8R0.23 CS(=O)C[C@H](N)C(=O)O Amb16232229 [0,0,0,0,0,0|2,0,0]=2 212 B8R0.23 C[C@@H](CC(=O)O)C(=O)O Amb22226742 [0,0,0,0,0,0|1,0,0]=1 213 B8R0.23 C[C@@H](CC(F)F)C(=O)O Amb33749533 [0,0,0,0,0,0|3,0,1]=4 214 B8R0.23 C[C@@H](Cl)C[C@H](N)C(=O)O Amb27863035 [0,0,0,0,0,0|2,0,1]=3 215 B8R0.23 C[C@@H](NC(N)=O)C(=O)O Amb27242972 [0,0,0,0,0,0|3,0,0]=3 216 B8R0.23 C[C@@H](NC(N)=O)C(N)=O Amb27394390 [0,0,0,0,0,0|4,0,0]=4 217 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O Amb27254158 [0,0,0,0,0,0|1,0,1]=2 218 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Amb22168848 [0,0,0,0,0,0|1,0,1]=2 219 B8R0.23 C[C@@H](OC(N)=O)C(=O)O Amb35655773 [0,0,0,0,0,0|3,0,0]=3 220 B8R0.23 C[C@H](CC(=O)O)C(=O)O Amb22225399 [0,0,0,0,0,0|1,0,0]=1 221 B8R0.23 C[C@H](CC(=O)O)C(Cl)Cl Amb28292581 [0,0,0,0,0,0|3,0,1]=4 222 B8R0.23 C[C@H](CC(=O)O)C(N)=O Amb28133461 [0,0,0,0,0,0|2,0,0]=2 223 B8R0.23 C[C@H](CC(=O)O)S(C)=O Amb27410588 [0,0,0,0,0,0|3,0,0]=3 224 B8R0.23 C[C@H](CC(F)F)C(=O)O Amb33727762 [0,0,0,0,0,0|3,0,1]=4 225 B8R0.23 C[C@H](N)C(O)CC(=O)O Amb27622153 [0,0,0,0,0,0|3,0,1]=4 226 B8R0.23 C[C@H](N)C[C@@H](O)C(=O)O Amb27231129 [0,0,0,0,0,0|3,0,1]=4 227 B8R0.23 C[C@H](N)C[C@H](N)C(=O)O Amb27815088 [0,0,0,0,0,0|2,0,1]=3 228 B8R0.23 C[C@H](N)C[C@H](O)C(=O)O Amb27180466 [0,0,0,0,0,0|3,0,1]=4 229 B8R0.23 C[C@H](N)[C@H](O)CC(=O)O Amb27975677 [0,0,0,0,0,0|3,0,1]=4 230 B8R0.23 C[C@H](NC(=N)N)C(=O)O Amb24388432 [0,0,0,0,0,0|4,0,0]=4 231 B8R0.23 C[C@H](NC(=O)Cl)C(=O)Cl Amb28292733 [0,0,0,0,0,0|4,0,0]=4 232 B8R0.23 C[C@H](NC(N)=O)C(=O)O Amb545023 [0,0,0,0,0,0|3,0,0]=3 233 B8R0.23 C[C@H](NS(C)=O)C(=O)O Amb27212723 [0,0,0,0,0,0|4,0,0]=4 234 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O Amb16184021 [0,0,0,0,0,0|1,0,1]=2 235 B8R0.23 C[S@@](=O)C[C@H](N)C(=O)O Amb35789128 [0,0,0,0,0,0|2,0,0]=2 236 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb33756818 [0,0,0,0,0,0|2,0,0]=2 237 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb35788678 [0,0,0,0,0,0|2,0,0]=2 238 B8R0.23 C\C(=C/C(=O)O)C(=O)O Amb9703112 [0,0,0,0,0,0|1,0,2]=3 239 B8R0.23 C\C(=C/C(=O)O)C(N)=O Amb28350555 [0,0,0,0,0,0|2,0,2]=4 240 B8R0.23 C\C(=C/C(N)=O)C(=O)O Amb28060883 [0,0,0,0,0,0|2,0,2]=4 241 B8R0.23 C\C(=C\C(=O)O)C(=O)O Amb8391132 [0,0,0,0,0,0|1,0,2]=3 242 B8R0.23 C\C(Cl)=C/C(C)C(=O)O Amb28285105 [0,0,0,0,0,0|3,0,1]=4 243 B8R0.23 C\C(Cl)=C/C(Cl)C(=O)O Amb28128482 [0,0,0,0,0,0|3,0,1]=4 244 B8R0.23 NC(=O)C(=S)CC(O)=S Amb28323012 [0,0,0,0,0,0|2,1,1]=4 245 B8R0.23 NC(=O)C(N)CC(=O)O Amb18124347 [0,0,0,0,0,0|1,0,0]=1 246 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666212 [0,0,0,0,0,0|1,0,0]=1 247 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666239 [0,0,0,0,0,0|1,0,0]=1 248 B8R0.23 NC(=O)C(N)CC(F)F Amb27409676 [0,0,0,0,0,0|3,0,1]=4 249 B8R0.23 NC(=O)C(O)CC(=O)[O-] Amb33068981 [0,0,0,0,0,0|2,0,1]=3 250 B8R0.23 NC(=O)CC(Br)C(=O)O Amb26012685 [0,0,0,0,0,0|2,0,0]=2 251 B8R0.23 NC(=O)CC(Cl)C(=O)O Amb27478086 [0,0,0,0,0,0|2,0,0]=2 252 B8R0.23 NC(=O)CC(N)C(=O)O Amb2725509 [0,0,0,0,0,0|1,0,0]=1 253 B8R0.23 NC(=O)CC(N)C(=O)O Amb3940878 [0,0,0,0,0,0|1,0,0]=1 254 B8R0.23 NC(=O)CC(N)C(F)F Amb32418214 [0,0,0,0,0,0|3,0,1]=4 255 B8R0.23 NC(=O)CC(N)C(N)=O Amb18289248 [0,0,0,0,0,0|2,0,0]=2 256 B8R0.23 NC(=O)CC(O)C(=O)O Amb27807542 [0,0,0,0,0,0|2,0,0]=2 257 B8R0.23 NC(=O)CC(O)C(N)=O Amb27961515 [0,0,0,0,0,0|3,0,0]=3 258 B8R0.23 NC(=O)CC(S)C(=O)O Amb27494183 [0,0,0,0,0,0|2,0,0]=2 259 B8R0.23 NC(=O)C[C@@H](Br)C(=O)O Amb27858620 [0,0,0,0,0,0|2,0,0]=2 260 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb10071271 [0,0,0,0,0,0|1,0,0]=1 261 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb17749060 [0,0,0,0,0,0|1,0,0]=1 262 B8R0.23 NC(=O)C[C@@H](N)C(N)=O Amb28423711 [0,0,0,0,0,0|2,0,0]=2 263 B8R0.23 NC(=O)C[C@@H](O)C(=O)O Amb24681022 [0,0,0,0,0,0|2,0,0]=2 264 B8R0.23 NC(=O)C[C@@H](O)C(N)=O Amb27258074 [0,0,0,0,0,0|3,0,0]=3 265 B8R0.23 NC(=O)C[C@@H](S)C(=O)O Amb27234637 [0,0,0,0,0,0|2,0,0]=2 266 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb3940760 [0,0,0,0,0,0|1,0,0]=1 267 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb8513755 [0,0,0,0,0,0|1,0,0]=1 268 B8R0.23 NC(=O)C[C@H](N)C(N)=O Amb16183882 [0,0,0,0,0,0|2,0,0]=2 269 B8R0.23 NC(=O)C[C@H](S)C(=O)O Amb27253643 [0,0,0,0,0,0|2,0,0]=2 270 B8R0.23 NC(=O)N(N)CC(=O)O Amb6296397 [0,0,0,0,0,0|2,0,0]=2 271 B8R0.23 NC(=O)NC(=O)C(=O)O Amb18124345 [0,0,0,0,0,0|3,0,1]=4 272 B8R0.23 NC(=O)NC(O)C(=O)O Amb24592607 [0,0,0,0,0,0|3,0,0]=3 273 B8R0.23 NC(=O)N[C@@H](O)C(=O)O Amb28287313 [0,0,0,0,0,0|3,0,0]=3 274 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb19334954 [0,0,0,0,0,0|1,0,0]=1 275 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb31291739 [0,0,0,0,0,0|1,0,0]=1 276 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb32652393 [0,0,0,0,0,0|1,0,0]=1 277 B8R0.23 NC(=O)[C@H](N)CC(=O)O Amb27768775 [0,0,0,0,0,0|1,0,0]=1 278 B8R0.23 NC(=O)[C@H](N)CC(F)F Amb27163215 [0,0,0,0,0,0|3,0,1]=4 279 B8R0.23 NC(=O)\C(N)=C\C(=O)O Amb28046027 [0,0,0,0,0,0|1,0,2]=3 280 B8R0.23 NC(=O)\C=C(/Cl)C(=O)O Amb27815058 [0,0,0,0,0,0|2,0,2]=4 281 B8R0.23 NC(=O)\C=C(/N)C(N)=O Amb5728013 [0,0,0,0,0,0|2,0,2]=4 282 B8R0.23 NC(=O)\C=C(\F)C(=O)O Amb27447226 [0,0,0,0,0,0|2,0,2]=4 283 B8R0.23 NC(=S)C[C@H](N)C(=O)O Amb28410343 [0,0,0,0,0,0|1,1,0]=2 284 B8R0.23 NC(C=C(Cl)Cl)C(=O)O Amb22350718 [0,0,0,0,0,0|2,0,1]=3 285 B8R0.23 NC(C=S(=O)=O)C(=O)O Amb27231764 [0,0,0,0,0,0|1,0,2]=3 286 B8R0.23 NC(CB(O)O)C(=O)O Amb28285179 [0,0,0,0,0,0|1,0,1]=2 287 B8R0.23 NC(CB(O)O)C(=O)O Amb33803309 [0,0,0,0,0,0|1,0,1]=2 288 B8R0.23 NC(CC(=O)O)C(=O)O Amb9702780 [0,0,0,0,0,0|0,0,0]=0 289 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22167994 [0,0,0,0,0,0|0,0,1]=1 290 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22337568 [0,0,0,0,0,0|0,0,1]=1 291 B8R0.23 NC(CC(=O)O)C(Cl)Cl Amb27964120 [0,0,0,0,0,0|2,0,1]=3 292 B8R0.23 NC(CC(=O)O)C(F)F Amb23570587 [0,0,0,0,0,0|2,0,1]=3 293 B8R0.23 NC(CC(Cl)Cl)C(=O)O Amb27791749 [0,0,0,0,0,0|2,0,1]=3 294 B8R0.23 NC(CC(F)F)C(=O)O Amb13952714 [0,0,0,0,0,0|2,0,1]=3 295 B8R0.23 NC(CC(F)F)C(=O)O Amb33546007 [0,0,0,0,0,0|2,0,1]=3 296 B8R0.23 NC(CS(=O)O)C(=O)O Amb541272 [0,0,0,0,0,0|1,0,0]=1 297 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb34163080 [0,0,0,0,0,0|0,0,0]=0 298 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb3940320 [0,0,0,0,0,0|0,0,0]=0 299 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] Amb22801032 [0,0,0,0,0,0|0,0,1]=1 300 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb20240565 [0,0,0,0,0,0|0,0,1]=1 301 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb22748769 [0,0,0,0,0,0|0,0,1]=1 302 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] Amb22757383 [0,0,0,0,0,0|0,0,2]=2 303 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb26944439 [0,0,0,0,0,0|2,0,1]=3 304 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb33482837 [0,0,0,0,0,0|2,0,1]=3 305 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb6600148 [0,0,0,0,0,0|1,0,0]=1 306 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb9809803 [0,0,0,0,0,0|1,0,0]=1 307 B8R0.23 N[C@@H](C[SH](=O)=O)C(=O)O Amb27858626 [0,0,0,0,0,0|1,0,1]=2 308 B8R0.23 N[C@H](CC(=O)O)C(=O)O Amb6599992 [0,0,0,0,0,0|0,0,0]=0 309 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb25117310 [0,0,0,0,0,0|2,0,1]=3 310 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb33743521 [0,0,0,0,0,0|2,0,1]=3 311 B8R0.23 O=C(Cl)CC(Cl)C(=O)Cl Amb28122555 [0,0,0,0,0,0|3,0,0]=3 312 B8R0.23 O=C(O)C(=O)C[PH](=O)O Amb27218009 [0,0,0,0,0,0|2,0,1]=3 313 B8R0.23 O=C(O)C(O)CC(F)F Amb25274709 [0,0,0,0,0,0|3,0,1]=4 314 B8R0.23 O=C(O)C(O)CC(O)O Amb28397948 [0,0,0,0,0,0|1,0,2]=3 315 B8R0.23 O=C(O)C(O)C[N+](=O)[O-] Amb6883775 [0,0,0,0,0,0|2,0,1]=3 316 B8R0.23 O=C(O)CC(=O)C(=O)O Amb3909986 [0,0,0,0,0,0|1,0,1]=2 317 B8R0.23 O=C(O)CC(=S)C(=O)O Amb25304511 [0,0,0,0,0,0|1,0,1]=2 318 B8R0.23 O=C(O)CC(Br)C(=O)O Amb3941503 [0,0,0,0,0,0|1,0,0]=1 319 B8R0.23 O=C(O)CC(Cl)=C(Cl)Cl Amb2227973 [0,0,0,0,0,0|3,0,1]=4 320 B8R0.23 O=C(O)CC(Cl)C(=O)O Amb9825869 [0,0,0,0,0,0|1,0,0]=1 321 B8R0.23 O=C(O)CC(O)C(=O)O Amb8513238 [0,0,0,0,0,0|1,0,0]=1 322 B8R0.23 O=C(O)CC(O)C(Cl)Cl Amb27985520 [0,0,0,0,0,0|3,0,1]=4 323 B8R0.23 O=C(O)CC(S)C(=O)O Amb2779994 [0,0,0,0,0,0|1,0,0]=1 324 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O Amb22504149 [0,0,0,0,0,0|1,0,0]=1 325 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O Amb20242424 [0,0,0,0,0,0|1,0,0]=1 326 B8R0.23 O=C(O)C[C@@H](F)C(=O)O Amb27173500 [0,0,0,0,0,0|1,0,0]=1 327 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Amb4166311 [0,0,0,0,0,0|1,0,0]=1 328 B8R0.23 O=C(O)C[C@@H](O)C(F)F Amb33337779 [0,0,0,0,0,0|3,0,1]=4 329 B8R0.23 O=C(O)C[C@H](Br)C(=O)O Amb8629197 [0,0,0,0,0,0|1,0,0]=1 330 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O Amb20242425 [0,0,0,0,0,0|1,0,0]=1 331 B8R0.23 O=C(O)C[C@H](F)C(=O)O Amb27167819 [0,0,0,0,0,0|1,0,0]=1 332 B8R0.23 O=C(O)C[C@H](O)C(=O)O Amb6599993 [0,0,0,0,0,0|1,0,0]=1 333 B8R0.23 O=C(O)C[C@H](O)C(F)F Amb33485299 [0,0,0,0,0,0|3,0,1]=4 334 B8R0.23 O=C(O)[C@H](Cl)CC(Cl)Cl Amb27831354 [0,0,0,0,0,0|3,0,1]=4 335 B8R0.23 O=C(O)\C=C(/Br)C(=O)O Amb31275762 [0,0,0,0,0,0|1,0,2]=3 336 B8R0.23 O=C(O)\C=C(/Cl)C(=O)O Amb4007497 [0,0,0,0,0,0|1,0,2]=3 337 B8R0.23 O=C(O)\C=C(/F)C(=O)O Amb26860064 [0,0,0,0,0,0|1,0,2]=3 338 B8R0.23 O=C(O)\C=C(/I)C(=O)O Amb10755055 [0,0,0,0,0,0|1,0,2]=3 339 B8R0.23 O=C(O)\C=C(\Br)C(=O)O Amb25746120 [0,0,0,0,0,0|1,0,2]=3 340 B8R0.23 O=C(O)\C=C(\F)C(=O)O Amb18124397 [0,0,0,0,0,0|1,0,2]=3 341 B8R0.23 O=C([O-])CC(O)C(=O)[O-] Amb30876864 [0,0,0,0,0,0|1,0,2]=3 342 B8R0.23 O=C([O-])C[C@H](O)C(=O)[O-] Amb22351833 [0,0,0,0,0,0|1,0,2]=3 343 B7R0.2 C#CC(C)CC(=O)O Amb27246384 [1,0,0,0,0,0|2,0,1]=4 344 B7R0.2 C#C[C@H](O)CC(=O)O Amb28285208 [1,0,0,0,0,0|2,0,1]=4 345 B7R0.2 C=C(Br)C[C@@H](C)C=O Amb28381143 [1,0,0,0,0,0|3,0,0]=4 346 B7R0.2 C=C(C)CC(C)C=O Amb18641711 [1,0,0,0,0,0|3,0,0]=4 347 B7R0.2 C=C(C)CC(N)CO Amb24665584 [1,0,0,0,0,0|2,0,1]=4 348 B7R0.2 C=C(C)C[C@H](N)CO Amb27633094 [1,0,0,0,0,0|2,0,1]=4 349 B7R0.2 C=CC(C)CC(=O)O Amb18641774 [1,0,0,0,0,0|2,0,0]=3 350 B7R0.2 C=CC(C)CC(C)=O Amb27759897 [1,0,0,0,0,0|3,0,0]=4 351 B7R0.2 C=CC(C)CC(N)=O Amb27168118 [1,0,0,0,0,0|3,0,0]=4 352 B7R0.2 C=CC(N)CC(=O)O Amb22641963 [1,0,0,0,0,0|1,0,0]=2 353 B7R0.2 C=CC(N)CC(=O)O Amb31307621 [1,0,0,0,0,0|1,0,0]=2 354 B7R0.2 C=CC(O)CC(=O)O Amb18641866 [1,0,0,0,0,0|2,0,0]=3 355 B7R0.2 C=C[C@@H](C)CC(=O)O Amb27868377 [1,0,0,0,0,0|2,0,0]=3 356 B7R0.2 C=C[C@@H](N)CC(=O)O Amb28315938 [1,0,0,0,0,0|1,0,0]=2 357 B7R0.2 C=C[C@H](C)CC(=O)O Amb25791667 [1,0,0,0,0,0|2,0,0]=3 358 B7R0.2 CC(=O)CC(N)CO Amb27240210 [1,0,0,0,0,0|1,0,1]=3 359 B7R0.2 CC(=O)C[C@@H](C)C=O Amb27470883 [1,0,0,0,0,0|2,0,0]=3 360 B7R0.2 CC(=O)C[C@H](C)C=O Amb24379584 [1,0,0,0,0,0|2,0,0]=3 361 B7R0.2 CC(=O)C[C@H](O)CO Amb28316148 [1,0,0,0,0,0|2,0,1]=4 362 B7R0.2 CC(=O)N[C@H](C)C=O Amb27838347 [1,0,0,0,0,0|3,0,0]=4 363 B7R0.2 CC(=O)OC(C)C=O Amb18641863 [1,0,0,0,0,0|3,0,0]=4 364 B7R0.2 CC(=O)O[C@H](C)C=O Amb28422009 [1,0,0,0,0,0|3,0,0]=4 365 B7R0.2 CC(C#N)CC(=O)O Amb17334057 [1,0,0,0,0,0|2,0,1]=4 366 B7R0.2 CC(C)C[C@H](N)C=O Amb26851754 [1,0,0,0,0,0|2,0,1]=4 367 B7R0.2 CC(CC(=O)O)NN Amb28346224 [1,0,0,0,0,0|3,0,0]=4 368 B7R0.2 CC(CC(=O)O)NN Amb33141007 [1,0,0,0,0,0|3,0,0]=4 369 B7R0.2 CC(CF)CC(=O)O Amb25990964 [1,0,0,0,0,0|2,0,1]=4 370 B7R0.2 CC(CN)CC(=O)O Amb18124263 [1,0,0,0,0,0|2,0,1]=4 371 B7R0.2 CC(CN)CC(=O)O Amb20669501 [1,0,0,0,0,0|2,0,1]=4 372 B7R0.2 CC(CN)CC(=O)O Amb32752805 [1,0,0,0,0,0|2,0,1]=4 373 B7R0.2 CC(CO)CC(=O)O Amb18198168 [1,0,0,0,0,0|1,0,1]=3 374 B7R0.2 CC(CO)CC(=O)[O-] Amb33329956 [1,0,0,0,0,0|1,0,2]=4 375 B7R0.2 CCC(C)CC(=O)O Amb2689581 [1,0,0,0,0,0|2,0,1]=4 376 B7R0.2 CCC(N)CC(=O)O Amb1993862 [1,0,0,0,0,0|1,0,1]=3 377 B7R0.2 CCC(N)CC(=O)O Amb8631361 [1,0,0,0,0,0|1,0,1]=3 378 B7R0.2 CCC(N)CC(C)=O Amb18631696 [1,0,0,0,0,0|2,0,1]=4 379 B7R0.2 CCC(N)CC(C)=O Amb26895708 [1,0,0,0,0,0|2,0,1]=4 380 B7R0.2 CCC(N)CC(N)=O Amb25727686 [1,0,0,0,0,0|2,0,1]=4 381 B7R0.2 CCC(O)CC(=O)O Amb10844270 [1,0,0,0,0,0|2,0,1]=4 382 B7R0.2 CC[C@@H](C)CC(=O)O Amb2696314 [1,0,0,0,0,0|2,0,1]=4 383 B7R0.2 CC[C@@H](N)CC(=O)O Amb22225305 [1,0,0,0,0,0|1,0,1]=3 384 B7R0.2 CC[C@@H](N)CC(=O)O Amb8397198 [1,0,0,0,0,0|1,0,1]=3 385 B7R0.2 CC[C@@H](O)CC(=O)O Amb27601320 [1,0,0,0,0,0|2,0,1]=4 386 B7R0.2 CC[C@H](C)CC(=O)O Amb2696313 [1,0,0,0,0,0|2,0,1]=4 387 B7R0.2 CC[C@H](N)CC(=O)O Amb22226650 [1,0,0,0,0,0|1,0,1]=3 388 B7R0.2 CC[C@H](N)CC(=O)O Amb8397197 [1,0,0,0,0,0|1,0,1]=3 389 B7R0.2 CC[C@H](O)CC(=O)O Amb33189078 [1,0,0,0,0,0|2,0,1]=4 390 B7R0.2 CN(C=O)CC(N)=O Amb27471534 [1,0,0,0,0,0|3,0,0]=4 391 B7R0.2 CN(CC(=O)O)N=O Amb17618622 [1,0,0,0,0,0|3,0,0]=4 392 B7R0.2 CN(CO)CC(=O)O Amb27663224 [1,0,0,0,0,0|2,0,1]=4 393 B7R0.2 CNC(C)CC(=O)O Amb21959674 [1,0,0,0,0,0|3,0,0]=4 394 B7R0.2 CNC(C)CC(=O)O Amb9398363 [1,0,0,0,0,0|3,0,0]=4 395 B7R0.2 CN[C@H](C)CC(=O)O Amb25339129 [1,0,0,0,0,0|3,0,0]=4 396 B7R0.2 COC(C)CC(=O)O Amb4001695 [1,0,0,0,0,0|3,0,0]=4 397 B7R0.2 CO[C@H](C)CC(=O)O Amb27266082 [1,0,0,0,0,0|3,0,0]=4 398 B7R0.2 CSC(C)CC(=O)O Amb18967824 [1,0,0,0,0,0|3,0,0]=4 399 B7R0.2 CS[C@H](C)CC(=O)O Amb27648548 [1,0,0,0,0,0|3,0,0]=4 400 B7R0.2 C[C@@H](CN)CC(=O)O Amb26864355 [1,0,0,0,0,0|2,0,1]=4 401 B7R0.2 C[C@@H](CN)CC(=O)O Amb32656230 [1,0,0,0,0,0|2,0,1]=4 402 B7R0.2 C[C@H](CN)CC(=O)O Amb26887694 [1,0,0,0,0,0|2,0,1]=4 403 B7R0.2 C[C@H](CN)CC(=O)O Amb32663834 [1,0,0,0,0,0|2,0,1]=4 404 B7R0.2 C[C@H](CO)CC(=O)O Amb28040661 [1,0,0,0,0,0|1,0,1]=3 405 B7R0.2 C\C(CC(=O)O)=N/O Amb28388976 [1,0,0,0,0,0|2,0,1]=4 406 B7R0.2 C\C=C(\Cl)CC(=O)O Amb25174797 [1,0,0,0,0,0|2,0,1]=4 407 B7R0.2 N#CC(N)CC(=O)O Amb27985578 [1,0,0,0,0,0|1,0,1]=3 408 B7R0.2 N#CC(N)CC(N)=O Amb24122907 [1,0,0,0,0,0|2,0,1]=4 409 B7R0.2 NC(=O)CC(Br)CO Amb28384721 [1,0,0,0,0,0|2,0,1]=4 410 B7R0.2 NC(=O)CC(N)CCl Amb26458731 [1,0,0,0,0,0|2,0,1]=4 411 B7R0.2 NC(=O)CC(O)CO Amb25662216 [1,0,0,0,0,0|2,0,1]=4 412 B7R0.2 NC(=O)C[C@H](O)CO Amb8388588 [1,0,0,0,0,0|2,0,1]=4 413 B7R0.2 NC(=O)C\C(N)=N/O Amb8559051 [1,0,0,0,0,0|2,0,1]=4 414 B7R0.2 NC(=O)C\C(N)=N\O Amb577388 [1,0,0,0,0,0|2,0,1]=4 415 B7R0.2 NC(C=O)CC(=O)O Amb27669608 [1,0,0,0,0,0|0,0,0]=1 416 B7R0.2 NC(CF)CC(=O)O Amb24428065 [1,0,0,0,0,0|1,0,1]=3 417 B7R0.2 NC(CS)CC(=O)O Amb25090412 [1,0,0,0,0,0|0,1,1]=3 418 B7R0.2 NCC(N)CC(=O)O Amb19515145 [1,0,0,0,0,0|1,0,1]=3 419 B7R0.2 NCC(N)CC(=O)O Amb21858324 [1,0,0,0,0,0|1,0,1]=3 420 B7R0.2 NCC(N)CC(N)=O Amb27603845 [1,0,0,0,0,0|2,0,1]=4 421 B7R0.2 NCC(O)CC(=O)O Amb32663899 [1,0,0,0,0,0|2,0,1]=4 422 B7R0.2 NCC(O)CC(=O)O Amb33544754 [1,0,0,0,0,0|2,0,1]=4 423 B7R0.2 NC[C@@H](F)CC(=O)O Amb27481078 [1,0,0,0,0,0|2,0,1]=4 424 B7R0.2 NC[C@@H](N)CC(=O)O Amb10603267 [1,0,0,0,0,0|1,0,1]=3 425 B7R0.2 NC[C@@H](O)CC(=O)O Amb32665211 [1,0,0,0,0,0|2,0,1]=4 426 B7R0.2 NC[C@@H](O)CC(=O)O Amb8386098 [1,0,0,0,0,0|2,0,1]=4 427 B7R0.2 NC[C@H](O)CC(=O)O Amb8628962 [1,0,0,0,0,0|2,0,1]=4 428 B7R0.2 N[C@@H](CO)CC(=O)O Amb16184020 [1,0,0,0,0,0|0,0,1]=2 429 B7R0.2 N[C@@H](CO)CC(=O)O Amb22388520 [1,0,0,0,0,0|0,0,1]=2 430 B7R0.2 N[C@H](C=O)CC(=O)O Amb28428447 [1,0,0,0,0,0|0,0,0]=1 431 B7R0.2 N[C@H](CO)CC(=O)O Amb2694944 [1,0,0,0,0,0|0,0,1]=2 432 B7R0.2 N[C@H](CS)CC(=O)O Amb28326106 [1,0,0,0,0,0|0,1,1]=3 433 B7R0.2 N\C(CC(=O)O)=N/O Amb8384544 [1,0,0,0,0,0|1,0,1]=3 434 B7R0.2 O=C(O)CC(O)CBr Amb27592126 [1,0,0,0,0,0|2,0,1]=4 435 B7R0.2 O=C(O)CC(O)CF Amb26557587 [1,0,0,0,0,0|2,0,1]=4 436 B7R0.2 O=C(O)CC(O)CO Amb28120003 [1,0,0,0,0,0|1,0,1]=3 437 B7R0.2 O=C(O)CC(O)CS Amb27244674 [1,0,0,0,0,0|1,1,1]=4 438 B7R0.2 O=C(O)C[C@@H](O)CF Amb33377449 [1,0,0,0,0,0|2,0,1]=4 439 B7R0.2 O=C(O)C[C@H](O)CBr Amb28325607 [1,0,0,0,0,0|2,0,1]=4 440 B7R0.2 O=C(O)C[C@H](O)CCl Amb27830780 [1,0,0,0,0,0|2,0,1]=4 441 B7R0.2 O=C(O)C[C@H](O)CF Amb33377451 [1,0,0,0,0,0|2,0,1]=4 442 B7R0.2 O=C(O)C[C@H](O)CO Amb26353423 [1,0,0,0,0,0|1,0,1]=3 443 B7R0.2 O=C(O)C\C(Cl)=C\Cl Amb27812877 [1,0,0,0,0,0|2,0,1]=4 444 B7R0.2 O=C([O-])CC(O)CO Amb24117078 [1,0,0,0,0,0|1,0,2]=4 445 B7R0.2 O=CN(O)CC(=O)O Amb25367291 [1,0,0,0,0,0|2,0,0]=3 446 B7R0.2 O=C\C(Cl)=C/C(=O)O Amb27852924 [1,0,0,0,0,0|1,0,2]=4 447 B7R0.5 C#CCC(C)C(=O)O Amb18633959 [1,0,0,0,0,0|2,0,1]=4 448 B7R0.5 C#CCC(N)C(=O)O Amb19944472 [1,0,0,0,0,0|1,0,1]=3 449 B7R0.5 C#CCC(N)C(=O)O Amb9721758 [1,0,0,0,0,0|1,0,1]=3 450 B7R0.5 C#CCC(N)C(C)=O Amb27228190 [1,0,0,0,0,0|2,0,1]=4 451 B7R0.5 C#CCC(N)C(N)=O Amb22059485 [1,0,0,0,0,0|2,0,1]=4 452 B7R0.5 C#CCC(N)C(N)=O Amb33543329 [1,0,0,0,0,0|2,0,1]=4 453 B7R0.5 C#CCC(N)[PH](=O)O Amb27838345 [1,0,0,0,0,0|2,0,1]=4 454 B7R0.5 C#CCC(O)C(=O)O Amb27154881 [1,0,0,0,0,0|2,0,1]=4 455 B7R0.5 C#CC[C@@H](N)C(=O)O Amb16183954 [1,0,0,0,0,0|1,0,1]=3 456 B7R0.5 C#CC[C@@H](N)C(=O)O Amb22748688 [1,0,0,0,0,0|1,0,1]=3 457 B7R0.5 C#CC[C@@H](N)C(N)=O Amb27473309 [1,0,0,0,0,0|2,0,1]=4 458 B7R0.5 C#CC[C@H](C)C(=O)O Amb10844036 [1,0,0,0,0,0|2,0,1]=4 459 B7R0.5 C#CC[C@H](N)C(=O)O Amb8396606 [1,0,0,0,0,0|1,0,1]=3 460 B7R0.5 C#CC[C@H](N)C(N)=O Amb28345609 [1,0,0,0,0,0|2,0,1]=4 461 B7R0.5 C=C(C)C(N)CCO Amb27391185 [1,0,0,0,0,0|2,0,1]=4 462 B7R0.5 C=C(CCO)C(=O)O Amb27173904 [1,0,0,0,0,0|1,0,2]=4 463 B7R0.5 C=CCC(=C)C(=O)O Amb18641687 [1,0,0,0,0,0|2,0,1]=4 464 B7R0.5 C=CCC(=O)C(=O)O Amb25890017 [1,0,0,0,0,0|2,0,1]=4 465 B7R0.5 C=CCC(Br)C(C)=O Amb27760403 [1,0,0,0,0,0|3,0,0]=4 466 B7R0.5 C=CCC(C)C(=O)O Amb33545044 [1,0,0,0,0,0|2,0,0]=3 467 B7R0.5 C=CCC(C)C(C)=O Amb19373098 [1,0,0,0,0,0|3,0,0]=4 468 B7R0.5 C=CCC(C)C(N)=O Amb27788519 [1,0,0,0,0,0|3,0,0]=4 469 B7R0.5 C=CCC(Cl)C(=O)Cl Amb27463323 [1,0,0,0,0,0|3,0,0]=4 470 B7R0.5 C=CCC(Cl)C(=O)O Amb25056173 [1,0,0,0,0,0|2,0,0]=3 471 B7R0.5 C=CCC(F)C(=O)O Amb28071391 [1,0,0,0,0,0|2,0,0]=3 472 B7R0.5 C=CCC(F)C(C)=O Amb19889753 [1,0,0,0,0,0|3,0,0]=4 473 B7R0.5 C=CCC(N)C(=C)C Amb28316076 [1,0,0,0,0,0|3,0,0]=4 474 B7R0.5 C=CCC(N)C(=O)Cl Amb27413912 [1,0,0,0,0,0|2,0,0]=3 475 B7R0.5 C=CCC(N)C(=O)O Amb21856826 [1,0,0,0,0,0|1,0,0]=2 476 B7R0.5 C=CCC(N)C(=O)O Amb9729145 [1,0,0,0,0,0|1,0,0]=2 477 B7R0.5 C=CCC(N)C(C)=O Amb27194092 [1,0,0,0,0,0|2,0,0]=3 478 B7R0.5 C=CCC(N)C(N)=O Amb26585896 [1,0,0,0,0,0|2,0,0]=3 479 B7R0.5 C=CCC(O)C(C)=O Amb26451431 [1,0,0,0,0,0|3,0,0]=4 480 B7R0.5 C=CC[C@@H](N)C(=O)O Amb22745310 [1,0,0,0,0,0|1,0,0]=2 481 B7R0.5 C=CC[C@@H](N)C(=O)O Amb8389451 [1,0,0,0,0,0|1,0,0]=2 482 B7R0.5 C=CC[C@@H](N)C(N)=O Amb27838370 [1,0,0,0,0,0|2,0,0]=3 483 B7R0.5 C=CC[C@H](C)C(C)=O Amb26641913 [1,0,0,0,0,0|3,0,0]=4 484 B7R0.5 C=CC[C@H](N)C(=O)Cl Amb28120452 [1,0,0,0,0,0|2,0,0]=3 485 B7R0.5 C=CC[C@H](N)C(=O)O Amb10982568 [1,0,0,0,0,0|1,0,0]=2 486 B7R0.5 C=CC[C@H](N)C(=O)O Amb2699115 [1,0,0,0,0,0|1,0,0]=2 487 B7R0.5 CC(=O)C(=O)CC=O Amb24524264 [1,0,0,0,0,0|2,0,1]=4 488 B7R0.5 CC(=O)C(Br)CCO Amb27858653 [1,0,0,0,0,0|2,0,1]=4 489 B7R0.5 CC(=O)C(C)CCO Amb13881368 [1,0,0,0,0,0|2,0,1]=4 490 B7R0.5 CC(=O)C(C)NC=O Amb23442778 [1,0,0,0,0,0|3,0,0]=4 491 B7R0.5 CC(=O)C(C)OC=O Amb26492625 [1,0,0,0,0,0|3,0,0]=4 492 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [1,0,0,0,0,0|2,0,0]=3 493 B7R0.5 CC(=O)C(Cl)CCO Amb4017890 [1,0,0,0,0,0|2,0,1]=4 494 B7R0.5 CC(=O)C(N)CCO Amb25087112 [1,0,0,0,0,0|1,0,1]=3 495 B7R0.5 CC(=O)C(S)CCO Amb25831127 [1,0,0,0,0,0|2,0,1]=4 496 B7R0.5 CC(=O)N(C)CC=O Amb17080668 [1,0,0,0,0,0|3,0,0]=4 497 B7R0.5 CC(=O)[C@@H](N)CCO Amb28410323 [1,0,0,0,0,0|1,0,1]=3 498 B7R0.5 CC(=O)[C@H](O)CC=O Amb27446551 [1,0,0,0,0,0|2,0,0]=3 499 B7R0.5 CC(C)C(N)CC=O Amb27628058 [1,0,0,0,0,0|2,0,1]=4 500 B7R0.5 CC(CC#N)C(=O)O Amb17334056 [1,0,0,0,0,0|2,0,1]=4 501 B7R0.5 CC(CC=O)C(=O)O Amb27952476 [1,0,0,0,0,0|1,0,0]=2 502 B7R0.5 CC(CCBr)C(=O)O Amb27409152 [1,0,0,0,0,0|2,0,1]=4 503 B7R0.5 CC(CCF)C(=O)O Amb24678386 [1,0,0,0,0,0|2,0,1]=4 504 B7R0.5 CC(CCN)C(=O)O Amb20667970 [1,0,0,0,0,0|2,0,1]=4 505 B7R0.5 CC(CCN)C(=O)O Amb538221 [1,0,0,0,0,0|2,0,1]=4 506 B7R0.5 CC(CCO)C(=O)O Amb18641949 [1,0,0,0,0,0|1,0,1]=3 507 B7R0.5 CC(CCO)C(=O)[O-] Amb33330478 [1,0,0,0,0,0|1,0,2]=4 508 B7R0.5 CC(CCO)C(N)=O Amb28280962 [1,0,0,0,0,0|2,0,1]=4 509 B7R0.5 CC(CNO)C(=O)O Amb28315956 [1,0,0,0,0,0|2,0,0]=3 510 B7R0.5 CC(CSS)C(=O)O Amb27437183 [1,0,0,0,0,0|2,1,0]=4 511 B7R0.5 CC(N=C=O)C(=O)O Amb33471295 [1,0,0,0,0,0|2,0,1]=4 512 B7R0.5 CC(NC=O)C(=O)O Amb1144629 [1,0,0,0,0,0|2,0,0]=3 513 B7R0.5 CC(NCO)C(=O)O Amb27468253 [1,0,0,0,0,0|2,0,1]=4 514 B7R0.5 CC(OC=O)C(=O)O Amb27872094 [1,0,0,0,0,0|2,0,0]=3 515 B7R0.5 CC(\N=N\O)C(=O)O Amb28251041 [1,0,0,0,0,0|3,0,0]=4 516 B7R0.5 CCCC(Br)C(=O)O Amb2795765 [1,0,0,0,0,0|2,0,1]=4 517 B7R0.5 CCCC(C)C(=O)O Amb3938958 [1,0,0,0,0,0|2,0,1]=4 518 B7R0.5 CCCC(Cl)C(=O)O Amb17593470 [1,0,0,0,0,0|2,0,1]=4 519 B7R0.5 CCCC(F)C(=O)O Amb25842008 [1,0,0,0,0,0|2,0,1]=4 520 B7R0.5 CCCC(N)C(=O)O Amb6262055 [1,0,0,0,0,0|1,0,1]=3 521 B7R0.5 CCCC(N)C(C)=O Amb27838289 [1,0,0,0,0,0|2,0,1]=4 522 B7R0.5 CCCC(N)C(N)=O Amb22284825 [1,0,0,0,0,0|2,0,1]=4 523 B7R0.5 CCCC(N)C(N)=O Amb9514970 [1,0,0,0,0,0|2,0,1]=4 524 B7R0.5 CCCC(O)C(=O)O Amb2818222 [1,0,0,0,0,0|2,0,1]=4 525 B7R0.5 CCCC(S)C(=O)O Amb18124440 [1,0,0,0,0,0|2,0,1]=4 526 B7R0.5 CCC[C@@H](C)C(=O)O Amb10844028 [1,0,0,0,0,0|2,0,1]=4 527 B7R0.5 CCC[C@@H](Cl)C(=O)O Amb27266071 [1,0,0,0,0,0|2,0,1]=4 528 B7R0.5 CCC[C@@H](N)C(=O)O Amb8514700 [1,0,0,0,0,0|1,0,1]=3 529 B7R0.5 CCC[C@@H](N)C(C)=O Amb35659946 [1,0,0,0,0,0|2,0,1]=4 530 B7R0.5 CCC[C@@H](N)C(N)=O Amb22745048 [1,0,0,0,0,0|2,0,1]=4 531 B7R0.5 CCC[C@@H](N)C(N)=O Amb24505187 [1,0,0,0,0,0|2,0,1]=4 532 B7R0.5 CCC[C@@H](O)C(=O)O Amb22746731 [1,0,0,0,0,0|2,0,1]=4 533 B7R0.5 CCC[C@H](Br)C(=O)O Amb26515784 [1,0,0,0,0,0|2,0,1]=4 534 B7R0.5 CCC[C@H](C)C(=O)O Amb10844037 [1,0,0,0,0,0|2,0,1]=4 535 B7R0.5 CCC[C@H](Cl)C(=O)O Amb27801931 [1,0,0,0,0,0|2,0,1]=4 536 B7R0.5 CCC[C@H](N)C(=O)O Amb30647420 [1,0,0,0,0,0|1,0,1]=3 537 B7R0.5 CCC[C@H](N)C(=O)O Amb8514701 [1,0,0,0,0,0|1,0,1]=3 538 B7R0.5 CCC[C@H](N)C(C)=O Amb35662324 [1,0,0,0,0,0|2,0,1]=4 539 B7R0.5 CCC[C@H](N)C(N)=O Amb26916392 [1,0,0,0,0,0|2,0,1]=4 540 B7R0.5 CCC[C@H](N)C(N)=O Amb33813498 [1,0,0,0,0,0|2,0,1]=4 541 B7R0.5 CCC[C@H](O)C(=O)O Amb22226514 [1,0,0,0,0,0|2,0,1]=4 542 B7R0.5 CCC[C@H](S)C(=O)O Amb28045752 [1,0,0,0,0,0|2,0,1]=4 543 B7R0.5 CNCC(C)C(=O)O Amb13952364 [1,0,0,0,0,0|3,0,0]=4 544 B7R0.5 CNCC(C)C(=O)O Amb9400281 [1,0,0,0,0,0|3,0,0]=4 545 B7R0.5 CNCC(N)C(=O)O Amb10845350 [1,0,0,0,0,0|2,0,0]=3 546 B7R0.5 CNCC(O)C(=O)O Amb26894610 [1,0,0,0,0,0|3,0,0]=4 547 B7R0.5 CNC[C@H](N)C(=O)O Amb17617148 [1,0,0,0,0,0|2,0,0]=3 548 B7R0.5 CNC[C@H](N)C(=O)O Amb19892230 [1,0,0,0,0,0|2,0,0]=3 549 B7R0.5 COCC(Br)C(=O)O Amb17594709 [1,0,0,0,0,0|3,0,0]=4 550 B7R0.5 COCC(C)C(=O)O Amb33545090 [1,0,0,0,0,0|3,0,0]=4 551 B7R0.5 COCC(Cl)C(=O)O Amb10068384 [1,0,0,0,0,0|3,0,0]=4 552 B7R0.5 COCC(N)C(=O)O Amb33551350 [1,0,0,0,0,0|2,0,0]=3 553 B7R0.5 COCC(N)C(=O)O Amb6752055 [1,0,0,0,0,0|2,0,0]=3 554 B7R0.5 COCC(N)C(C)=O Amb27468401 [1,0,0,0,0,0|3,0,0]=4 555 B7R0.5 COCC(N)C(N)=O Amb18984372 [1,0,0,0,0,0|3,0,0]=4 556 B7R0.5 COCC(N)C(N)=O Amb32693410 [1,0,0,0,0,0|3,0,0]=4 557 B7R0.5 COCC(O)C(=O)O Amb18124273 [1,0,0,0,0,0|3,0,0]=4 558 B7R0.5 COCC(S)C(=O)O Amb27763656 [1,0,0,0,0,0|3,0,0]=4 559 B7R0.5 COC[C@@H](C)C(=O)O Amb26599229 [1,0,0,0,0,0|3,0,0]=4 560 B7R0.5 COC[C@@H](N)C(=O)O Amb10604051 [1,0,0,0,0,0|2,0,0]=3 561 B7R0.5 COC[C@@H](N)C(=O)O Amb22744762 [1,0,0,0,0,0|2,0,0]=3 562 B7R0.5 COC[C@H](C)C(=O)O Amb10844266 [1,0,0,0,0,0|3,0,0]=4 563 B7R0.5 COC[C@H](N)C(=O)O Amb33801358 [1,0,0,0,0,0|2,0,0]=3 564 B7R0.5 COC[C@H](N)C(=O)O Amb8515080 [1,0,0,0,0,0|2,0,0]=3 565 B7R0.5 COC[C@H](O)C(=O)O Amb27778843 [1,0,0,0,0,0|3,0,0]=4 566 B7R0.5 CSCC(C)C(=O)O Amb18967825 [1,0,0,0,0,0|3,0,0]=4 567 B7R0.5 CSCC(Cl)C(=O)O Amb26878419 [1,0,0,0,0,0|3,0,0]=4 568 B7R0.5 CSCC(N)C(=O)O Amb33804791 [1,0,0,0,0,0|2,0,0]=3 569 B7R0.5 CSCC(N)C(=O)O Amb6280829 [1,0,0,0,0,0|2,0,0]=3 570 B7R0.5 CSCC(O)C(=O)O Amb25131873 [1,0,0,0,0,0|3,0,0]=4 571 B7R0.5 CSC[C@@H](C)C(=O)O Amb26047434 [1,0,0,0,0,0|3,0,0]=4 572 B7R0.5 CSC[C@@H](N)C(=O)O Amb9813743 [1,0,0,0,0,0|2,0,0]=3 573 B7R0.5 CSC[C@H](N)C(=O)O Amb6364886 [1,0,0,0,0,0|2,0,0]=3 574 B7R0.5 CSC[C@H](N)C(N)=O Amb27607700 [1,0,0,0,0,0|3,0,0]=4 575 B7R0.5 C[C@@H](CCF)C(=O)O Amb33744644 [1,0,0,0,0,0|2,0,1]=4 576 B7R0.5 C[C@@H](CCN)C(=O)O Amb10844043 [1,0,0,0,0,0|2,0,1]=4 577 B7R0.5 C[C@@H](N=C=O)C(=O)O Amb33189209 [1,0,0,0,0,0|2,0,1]=4 578 B7R0.5 C[C@@H](NC=O)C(N)=O Amb27837549 [1,0,0,0,0,0|3,0,0]=4 579 B7R0.5 C[C@@H](O)[C@@H](O)CC=O Amb27643485 [1,0,0,0,0,0|2,0,1]=4 580 B7R0.5 C[C@@H](O)[C@H](O)CC=O Amb27798254 [1,0,0,0,0,0|2,0,1]=4 581 B7R0.5 C[C@H](CCF)C(=O)O Amb33738115 [1,0,0,0,0,0|2,0,1]=4 582 B7R0.5 C[C@H](N=C=O)C(=O)O Amb33471333 [1,0,0,0,0,0|2,0,1]=4 583 B7R0.5 C[C@H](NC=O)C(=O)O Amb28323701 [1,0,0,0,0,0|2,0,0]=3 584 B7R0.5 C[C@H](NCO)C(=O)O Amb24401217 [1,0,0,0,0,0|2,0,1]=4 585 B7R0.5 C[Se]C[C@@H](N)C(=O)O Amb22745692 [1,0,0,0,0,0|2,0,0]=3 586 B7R0.5 C[Se]C[C@H](N)C(=O)O Amb10601626 [1,0,0,0,0,0|2,0,0]=3 587 B7R0.5 C\C(=C/C=O)C(=O)O Amb27165186 [1,0,0,0,0,0|1,0,2]=4 588 B7R0.5 C\C=C\C(Br)C(=O)O Amb27451575 [1,0,0,0,0,0|2,0,1]=4 589 B7R0.5 C\C=C\C(O)C(=O)O Amb30585115 [1,0,0,0,0,0|2,0,1]=4 590 B7R0.5 C\C=C\[C@@H](N)C(=O)O Amb27948524 [1,0,0,0,0,0|1,0,1]=3 591 B7R0.5 C\C=C\[C@@H](O)C(=O)O Amb28368832 [1,0,0,0,0,0|2,0,1]=4 592 B7R0.5 C\C=C\[C@H](O)C(=O)O Amb27162651 [1,0,0,0,0,0|2,0,1]=4 593 B7R0.5 N#CCC(N)C(=O)O Amb18641766 [1,0,0,0,0,0|1,0,1]=3 594 B7R0.5 N#CCC(N)C(N)=O Amb33308724 [1,0,0,0,0,0|2,0,1]=4 595 B7R0.5 N#CC[C@@H](N)C(=O)O Amb26397494 [1,0,0,0,0,0|1,0,1]=3 596 B7R0.5 N#CC[C@H](N)C(=O)O Amb16183916 [1,0,0,0,0,0|1,0,1]=3 597 B7R0.5 NC(=O)C(N)CCF Amb24391278 [1,0,0,0,0,0|2,0,1]=4 598 B7R0.5 NC(=O)C(N)CCO Amb24481392 [1,0,0,0,0,0|1,0,1]=3 599 B7R0.5 NC(=O)C(N)CNO Amb27396201 [1,0,0,0,0,0|2,0,0]=3 600 B7R0.5 NC(CCBr)C(=O)O Amb21858417 [1,0,0,0,0,0|1,0,1]=3 601 B7R0.5 NC(CCCl)C(=O)O Amb28241385 [1,0,0,0,0,0|1,0,1]=3 602 B7R0.5 NC(CCF)C(=O)O Amb25889337 [1,0,0,0,0,0|1,0,1]=3 603 B7R0.5 NC(CCF)C(=O)O Amb28934889 [1,0,0,0,0,0|1,0,1]=3 604 B7R0.5 NC(CCO)C(=O)O Amb8514287 [1,0,0,0,0,0|0,0,1]=2 605 B7R0.5 NC(CCS)C(=O)O Amb19267093 [1,0,0,0,0,0|0,1,1]=3 606 B7R0.5 NC(CCS)C(=O)O Amb3499433 [1,0,0,0,0,0|0,1,1]=3 607 B7R0.5 NC(CCS)[PH](=O)O Amb27409002 [1,0,0,0,0,0|1,1,1]=4 608 B7R0.5 NC(CNO)C(=O)O Amb4092732 [1,0,0,0,0,0|1,0,0]=2 609 B7R0.5 NC(CO[SiH3])C(=O)O Amb27461306 [1,0,0,0,0,0|2,0,0]=3 610 B7R0.5 NC(\C=C\F)C(=O)O Amb27666430 [1,0,0,0,0,0|1,0,1]=3 611 B7R0.5 NCCC(Br)C(=O)O Amb28128317 [1,0,0,0,0,0|2,0,1]=4 612 B7R0.5 NCCC(F)C(=O)O Amb10838221 [1,0,0,0,0,0|2,0,1]=4 613 B7R0.5 NCCC(F)C(=O)O Amb22229524 [1,0,0,0,0,0|2,0,1]=4 614 B7R0.5 NCCC(N)C(=O)O Amb2697841 [1,0,0,0,0,0|1,0,1]=3 615 B7R0.5 NCCC(N)C(=O)O Amb8514694 [1,0,0,0,0,0|1,0,1]=3 616 B7R0.5 NCCC(O)C(=O)O Amb16232090 [1,0,0,0,0,0|2,0,1]=4 617 B7R0.5 NCC[C@@H](F)C(=O)O Amb24055858 [1,0,0,0,0,0|2,0,1]=4 618 B7R0.5 NCC[C@@H](N)C(=O)O Amb16183852 [1,0,0,0,0,0|1,0,1]=3 619 B7R0.5 NCC[C@@H](N)C(=O)O Amb23438994 [1,0,0,0,0,0|1,0,1]=3 620 B7R0.5 NCC[C@@H](N)C(=O)O Amb8390364 [1,0,0,0,0,0|1,0,1]=3 621 B7R0.5 NCC[C@@H](N)C(N)=O Amb31031077 [1,0,0,0,0,0|2,0,1]=4 622 B7R0.5 NCC[C@@H](O)C(=O)O Amb22748225 [1,0,0,0,0,0|2,0,1]=4 623 B7R0.5 NCC[C@H](F)C(=O)O Amb24055857 [1,0,0,0,0,0|2,0,1]=4 624 B7R0.5 NCC[C@H](N)C(=O)O Amb16183862 [1,0,0,0,0,0|1,0,1]=3 625 B7R0.5 NCC[C@H](N)C(=O)O Amb2720151 [1,0,0,0,0,0|1,0,1]=3 626 B7R0.5 NCC[C@H](N)C(=O)O Amb33812683 [1,0,0,0,0,0|1,0,1]=3 627 B7R0.5 NCC[C@H](N)C(=O)O Amb9825390 [1,0,0,0,0,0|1,0,1]=3 628 B7R0.5 NCC[C@H](O)C(=O)O Amb8386099 [1,0,0,0,0,0|2,0,1]=4 629 B7R0.5 NOCC(N)C(=O)O Amb24184086 [1,0,0,0,0,0|2,0,0]=3 630 B7R0.5 N[C@@H](CCBr)C(=O)O Amb8515827 [1,0,0,0,0,0|1,0,1]=3 631 B7R0.5 N[C@@H](CCF)C(=O)O Amb26458628 [1,0,0,0,0,0|1,0,1]=3 632 B7R0.5 N[C@@H](CCO)C(=O)O Amb20242705 [1,0,0,0,0,0|0,0,1]=2 633 B7R0.5 N[C@@H](CCO)C(=O)O Amb6600040 [1,0,0,0,0,0|0,0,1]=2 634 B7R0.5 N[C@@H](CCS)C(=O)O Amb6600039 [1,0,0,0,0,0|0,1,1]=3 635 B7R0.5 N[C@@H](OCS)C(=O)O Amb27591629 [1,0,0,0,0,0|1,1,1]=4 636 B7R0.5 N[C@@H](\C=C/F)C(=O)O Amb27447269 [1,0,0,0,0,0|1,0,1]=3 637 B7R0.5 N[C@H](CC=O)C(=O)O Amb27839576 [1,0,0,0,0,0|0,0,0]=1 638 B7R0.5 N[C@H](CCF)C(=O)O Amb27206623 [1,0,0,0,0,0|1,0,1]=3 639 B7R0.5 N[C@H](CCI)C(=O)O Amb27600675 [1,0,0,0,0,0|1,0,1]=3 640 B7R0.5 N[C@H](CCO)C(=O)O Amb4166299 [1,0,0,0,0,0|0,0,1]=2 641 B7R0.5 N[C@H](C[SH]=O)C(=O)O Amb27596028 [1,0,0,0,0,0|1,0,0]=2 642 B7R0.5 O=C(O)C(=O)CCO Amb25677024 [1,0,0,0,0,0|1,0,2]=4 643 B7R0.5 O=C(O)C(Br)CCBr Amb19889695 [1,0,0,0,0,0|2,0,1]=4 644 B7R0.5 O=C(O)C(Br)CCO Amb28325416 [1,0,0,0,0,0|1,0,1]=3 645 B7R0.5 O=C(O)C(Cl)CCCl Amb18126030 [1,0,0,0,0,0|2,0,1]=4 646 B7R0.5 O=C(O)C(O)CCCl Amb27644540 [1,0,0,0,0,0|2,0,1]=4 647 B7R0.5 O=C(O)C(O)CCF Amb28071189 [1,0,0,0,0,0|2,0,1]=4 648 B7R0.5 O=C(O)C(O)CCO Amb24689942 [1,0,0,0,0,0|1,0,1]=3 649 B7R0.5 O=C(O)C(O)CNO Amb27405525 [1,0,0,0,0,0|2,0,0]=3 650 B7R0.5 O=C(O)C(S)CCS Amb27634893 [1,0,0,0,0,0|1,1,1]=4 651 B7R0.5 O=C(O)[C@@H](O)CCBr Amb27238673 [1,0,0,0,0,0|2,0,1]=4 652 B7R0.5 O=CCC(=O)C(=O)O Amb26326260 [1,0,0,0,0,0|1,0,1]=3 653 B7R0.5 O=C\C=C(/Br)C(=O)O Amb28320595 [1,0,0,0,0,0|1,0,2]=4 654 B7R0.5 O=C\C=C(/Cl)C(=O)O Amb27784434 [1,0,0,0,0,0|1,0,2]=4 655 B7R0.6 C=C(Br)CCC(=O)O Amb18648212 [1,0,0,0,0,0|2,0,0]=3 656 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [1,0,0,0,0,0|2,0,0]=3 657 B7R0.6 C=C(C)CCC(C)=O Amb9024770 [1,0,0,0,0,0|3,0,0]=4 658 B7R0.6 C=C(C)CCC(N)=O Amb27838318 [1,0,0,0,0,0|3,0,0]=4 659 B7R0.6 C=C(C)NCC(=O)O Amb9173757 [1,0,0,0,0,0|3,0,0]=4 660 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [1,0,0,0,0,0|2,0,0]=3 661 B7R0.6 C=C(Cl)CCC(C)=O Amb28316194 [1,0,0,0,0,0|3,0,0]=4 662 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [1,0,0,0,0,0|2,0,0]=3 663 B7R0.6 C=C(O)\C=C\C(=O)O Amb26391061 [1,0,0,0,0,0|1,0,2]=4 664 B7R0.6 CC(=O)CCB(O)O Amb25095502 [1,0,0,0,0,0|2,0,1]=4 665 B7R0.6 CC(=O)CCC(=O)O Amb534169 [1,0,0,0,0,0|1,0,0]=2 666 B7R0.6 CC(=O)CCC(=S)Cl Amb28049019 [1,0,0,0,0,0|2,1,0]=4 667 B7R0.6 CC(=O)CCC(C)=O Amb2793010 [1,0,0,0,0,0|2,0,0]=3 668 B7R0.6 CC(=O)CCC(C)=S Amb27226729 [1,0,0,0,0,0|2,1,0]=4 669 B7R0.6 CC(=O)CCC(C)O Amb25829594 [1,0,0,0,0,0|2,0,1]=4 670 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [1,0,0,0,0,0|2,0,0]=3 671 B7R0.6 CC(=O)CCC(O)=S Amb27267983 [1,0,0,0,0,0|1,1,0]=3 672 B7R0.6 CC(=O)CC[C@@H](C)O Amb22351150 [1,0,0,0,0,0|2,0,1]=4 673 B7R0.6 CC(=O)CC[N+](=O)[O-] Amb18198961 [1,0,0,0,0,0|2,0,1]=4 674 B7R0.6 CC(=O)CNC(C)=O Amb6297294 [1,0,0,0,0,0|3,0,0]=4 675 B7R0.6 CC(=O)COC(C)=O Amb8517567 [1,0,0,0,0,0|3,0,0]=4 676 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [1,0,0,0,0,0|2,0,0]=3 677 B7R0.6 CC(=O)NCC(N)=O Amb17231824 [1,0,0,0,0,0|3,0,0]=4 678 B7R0.6 CC(=O)OCC(=O)Cl Amb3939160 [1,0,0,0,0,0|3,0,0]=4 679 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [1,0,0,0,0,0|2,0,0]=3 680 B7R0.6 CC(=O)OCC(N)=O Amb24670486 [1,0,0,0,0,0|3,0,0]=4 681 B7R0.6 CC(=O)SCC(=O)Cl Amb24451416 [1,0,0,0,0,0|3,0,0]=4 682 B7R0.6 CC(=O)SCC(N)=O Amb22353247 [1,0,0,0,0,0|3,0,0]=4 683 B7R0.6 CC(=O)\C=C\C(=O)O Amb2722867 [1,0,0,0,0,0|1,0,2]=4 684 B7R0.6 CC(=O)\N=C\C(=O)O Amb27262053 [1,0,0,0,0,0|2,0,1]=4 685 B7R0.6 CC(=S)NCC(=O)O Amb24325138 [1,0,0,0,0,0|2,1,0]=4 686 B7R0.6 CC(=S)SCC(=O)O Amb25963237 [1,0,0,0,0,0|2,1,0]=4 687 B7R0.6 CC(Br)CCC(=O)O Amb18124528 [1,0,0,0,0,0|2,0,1]=4 688 B7R0.6 CC(C)=CCC(=O)O Amb6274419 [1,0,0,0,0,0|2,0,1]=4 689 B7R0.6 CC(C)CCC(=O)O Amb1153016 [1,0,0,0,0,0|2,0,1]=4 690 B7R0.6 CC(I)CCC(=O)O Amb25938596 [1,0,0,0,0,0|2,0,1]=4 691 B7R0.6 CC(N)CCC(=O)O Amb17593212 [1,0,0,0,0,0|2,0,1]=4 692 B7R0.6 CC(N)CCC(=O)O Amb19515603 [1,0,0,0,0,0|2,0,1]=4 693 B7R0.6 CC(O)CCC(=O)O Amb18294804 [1,0,0,0,0,0|1,0,1]=3 694 B7R0.6 CC(O)CCC(=O)[O-] Amb32729478 [1,0,0,0,0,0|1,0,2]=4 695 B7R0.6 CC(S)CCC(=O)O Amb8471198 [1,0,0,0,0,0|1,1,1]=4 696 B7R0.6 CN(C)CCC(=O)O Amb19888182 [1,0,0,0,0,0|3,0,0]=4 697 B7R0.6 CN(C)CCC(=O)O Amb6633385 [1,0,0,0,0,0|3,0,0]=4 698 B7R0.6 CN(N)CCC(=O)O Amb2698078 [1,0,0,0,0,0|3,0,0]=4 699 B7R0.6 CN(O)CCC(N)=O Amb27390605 [1,0,0,0,0,0|3,0,0]=4 700 B7R0.6 CS(=O)CCC(=O)O Amb18523762 [1,0,0,0,0,0|2,0,0]=3 701 B7R0.6 CS(=O)NCC(=O)O Amb25237322 [1,0,0,0,0,0|3,0,0]=4 702 B7R0.6 C[C@@H](N)CCC(=O)O Amb25960628 [1,0,0,0,0,0|2,0,1]=4 703 B7R0.6 C[C@@H](N)CCC(=O)O Amb35753110 [1,0,0,0,0,0|2,0,1]=4 704 B7R0.6 C[C@H](N)CCC(=O)O Amb25047328 [1,0,0,0,0,0|2,0,1]=4 705 B7R0.6 C[C@H](N)CCC(=O)O Amb35752545 [1,0,0,0,0,0|2,0,1]=4 706 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [1,0,0,0,0,0|1,0,1]=3 707 B7R0.6 C[C@H](S)CCC(=O)O Amb27170326 [1,0,0,0,0,0|1,1,1]=4 708 B7R0.6 C[S+](C)CCC(=O)O Amb8390782 [1,0,0,0,0,0|3,0,0]=4 709 B7R0.6 C\C(Cl)=C\CC(=O)O Amb27975492 [1,0,0,0,0,0|2,0,1]=4 710 B7R0.6 N=C(N)CCC(N)=O Amb25680023 [1,0,0,0,0,0|3,0,0]=4 711 B7R0.6 N=C(N)NCC(=O)O Amb16231404 [1,0,0,0,0,0|3,0,0]=4 712 B7R0.6 N=C(N)NCC(=O)O Amb2781642 [1,0,0,0,0,0|3,0,0]=4 713 B7R0.6 N=C(N)SCC(=O)O Amb33544354 [1,0,0,0,0,0|3,0,0]=4 714 B7R0.6 NC(=O)CCC(=O)Cl Amb28240580 [1,0,0,0,0,0|2,0,0]=3 715 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [1,0,0,0,0,0|1,0,0]=2 716 B7R0.6 NC(=O)CCC(N)=O Amb1353209 [1,0,0,0,0,0|2,0,0]=3 717 B7R0.6 NC(=O)CCC(O)O Amb27254204 [1,0,0,0,0,0|1,0,2]=4 718 B7R0.6 NC(=O)CO[PH](=O)O Amb27392553 [1,0,0,0,0,0|3,0,0]=4 719 B7R0.6 NC(=O)NCC(=O)O Amb6366364 [1,0,0,0,0,0|2,0,0]=3 720 B7R0.6 NC(=O)\C=C/C(=O)O Amb2719749 [1,0,0,0,0,0|1,0,2]=4 721 B7R0.6 NC(=O)\C=C\C(=O)O Amb9277095 [1,0,0,0,0,0|1,0,2]=4 722 B7R0.6 NC(=O)\N=C\C(=O)O Amb27592464 [1,0,0,0,0,0|2,0,1]=4 723 B7R0.6 NC(=S)CCC(=O)O Amb18102382 [1,0,0,0,0,0|1,1,0]=3 724 B7R0.6 NC(=S)NCC(=O)O Amb9786290 [1,0,0,0,0,0|2,1,0]=4 725 B7R0.6 O=C(Cl)CCC(=O)Cl Amb3940240 [1,0,0,0,0,0|2,0,0]=3 726 B7R0.6 O=C(O)C#CC(=O)O Amb6297768 [1,0,0,0,0,0|0,0,2]=3 727 B7R0.6 O=C(O)CC=C(Cl)Cl Amb17593875 [1,0,0,0,0,0|2,0,1]=4 728 B7R0.6 O=C(O)CCB(O)O Amb24640288 [1,0,0,0,0,0|1,0,1]=3 729 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [1,0,0,0,0,0|0,0,0]=1 730 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [1,0,0,0,0,0|0,0,0]=1 731 B7R0.6 O=C(O)CCC(Cl)Cl Amb25059214 [1,0,0,0,0,0|2,0,1]=4 732 B7R0.6 O=C(O)CCC(F)F Amb20623135 [1,0,0,0,0,0|2,0,1]=4 733 B7R0.6 O=C(O)CCN(F)F Amb28370344 [1,0,0,0,0,0|3,0,0]=4 734 B7R0.6 O=C(O)CCP(O)O Amb27424479 [1,0,0,0,0,0|1,0,1]=3 735 B7R0.6 O=C(O)CCS(=O)O Amb27144832 [1,0,0,0,0,0|1,0,0]=2 736 B7R0.6 O=C(O)CC[N+](=O)[O-] Amb10843224 [1,0,0,0,0,0|1,0,1]=3 737 B7R0.6 O=C(O)CC[SH](=O)=O Amb27410689 [1,0,0,0,0,0|1,0,1]=3 738 B7R0.6 O=C(O)CNC(=O)S Amb27424662 [1,0,0,0,0,0|1,1,0]=3 739 B7R0.6 O=C(O)CN[N+](=O)[O-] Amb26397226 [1,0,0,0,0,0|2,0,1]=4 740 B7R0.6 O=C(O)COC(=O)Cl Amb27199161 [1,0,0,0,0,0|2,0,0]=3 741 B7R0.6 O=C(O)\C=C/C(=O)O Amb2792876 [1,0,0,0,0,0|0,0,2]=3 742 B7R0.6 O=C(O)\C=C\C(=O)Cl Amb25890079 [1,0,0,0,0,0|1,0,2]=4 743 B7R0.6 O=C(O)\C=C\C(=O)O Amb6608657 [1,0,0,0,0,0|0,0,2]=3 744 B7R0.6 O=C(O)\C=C\C(=O)O Amb8513055 [1,0,0,0,0,0|0,0,2]=3 745 B7R0.6 O=C(O)\C=C\C(=O)S Amb27468769 [1,0,0,0,0,0|0,1,2]=4 746 B7R0.6 O=C([O-])C#CC(=O)O Amb19748298 [1,0,0,0,0,0|0,0,3]=4 747 B7R0.6 O=C([O-])C#CC(=O)O Amb2721628 [1,0,0,0,0,0|0,0,3]=4 748 B7R0.6 O=C([O-])C#CC(=O)O Amb33620293 [1,0,0,0,0,0|0,0,3]=4 749 B7R0.6 O=C([O-])CCC(=O)[O-] Amb33512742 [1,0,0,0,0,0|0,0,2]=3 750 B7R0.6 O=C([O-])CCC(=O)[O-] Amb8514379 [1,0,0,0,0,0|0,0,2]=3 751 B7R0.6 O=C([O-])\C=C/C(=O)O Amb22168115 [1,0,0,0,0,0|0,0,3]=4 752 B7R0.6 O=C([O-])\C=C/C(=O)O Amb9787714 [1,0,0,0,0,0|0,0,3]=4 753 B7R0.6 [BH3-]C(=O)NCC(=O)O Amb27478291 [1,0,0,0,0,0|2,0,0]=3 754 B9R0.10 CC(C)(C)C(N)CC(=O)O Amb31307616 [0,1,0,0,0,0|2,0,1]=4 755 B9R0.10 CC(C)(C)C(N)CC(=O)O Amb8515866 [0,1,0,0,0,0|2,0,1]=4 756 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O Amb19888358 [0,1,0,0,0,0|2,0,1]=4 757 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O Amb33456414 [0,1,0,0,0,0|2,0,1]=4 758 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O Amb33456294 [0,1,0,0,0,0|2,0,1]=4 759 B9R0.10 CC(C)(F)C(N)CC(=O)O Amb33273018 [0,1,0,0,0,0|2,0,1]=4 760 B9R0.10 CC(C)(S)C(N)CC(=O)O Amb28182470 [0,1,0,0,0,0|1,1,1]=4 761 B9R0.10 CC(CC(=O)O)C(C)(C)O Amb27815005 [0,1,0,0,0,0|2,0,1]=4 762 B9R0.10 CC(CC(=O)O)S(=O)(=O)O Amb27634850 [0,1,0,0,0,0|2,0,0]=3 763 B9R0.10 CC(F)(F)C(N)CC(=O)O Amb32810091 [0,1,0,0,0,0|2,0,1]=4 764 B9R0.10 CP(=O)(O)C(N)CC(=O)O Amb27831332 [0,1,0,0,0,0|1,0,0]=2 765 B9R0.10 CP(=O)(O)C(N)CC(N)=O Amb27615069 [0,1,0,0,0,0|2,0,0]=3 766 B9R0.10 C[C@H](CC(=O)O)P(=O)(O)O Amb27645396 [0,1,0,0,0,0|2,0,0]=3 767 B9R0.10 NC(CC(=O)O)C(F)(F)Cl Amb27483984 [0,1,0,0,0,0|2,0,1]=4 768 B9R0.10 NC(CC(=O)O)C(F)(F)F Amb1091770 [0,1,0,0,0,0|2,0,1]=4 769 B9R0.10 N[C@@H](CC(=O)O)C(F)(F)F Amb22388421 [0,1,0,0,0,0|2,0,1]=4 770 B9R0.10 N[C@H](CC(=O)O)C(F)(F)F Amb20670844 [0,1,0,0,0,0|2,0,1]=4 771 B9R0.11 C=C(Br)CC(C)(C)C(=O)O Amb25887722 [0,1,0,0,0,0|3,0,0]=4 772 B9R0.11 C=C(C)C(C)(C)CC(=O)O Amb25703730 [0,1,0,0,0,0|3,0,0]=4 773 B9R0.11 C=C(C)C(C)(N)CC(=O)O Amb22641962 [0,1,0,0,0,0|2,0,0]=3 774 B9R0.11 C=C(C)C(C)(N)CC(=O)O Amb31307620 [0,1,0,0,0,0|2,0,0]=3 775 B9R0.11 C=C(C)C(F)(F)CC(=O)O Amb32810021 [0,1,0,0,0,0|3,0,0]=4 776 B9R0.11 C=C(C)CC(C)(C)C(=O)O Amb27619182 [0,1,0,0,0,0|3,0,0]=4 777 B9R0.11 C=C(C)CC(C)(N)C(=O)O Amb27838051 [0,1,0,0,0,0|2,0,0]=3 778 B9R0.11 C=C(C)CC(C)(O)C(=O)O Amb24763776 [0,1,0,0,0,0|3,0,0]=4 779 B9R0.11 C=C(C)CC(F)(F)C(=O)O Amb26356276 [0,1,0,0,0,0|3,0,0]=4 780 B9R0.11 C=C(C)C[C@](C)(O)C(=O)O Amb27618953 [0,1,0,0,0,0|3,0,0]=4 781 B9R0.11 C=C(F)C[C@](C)(N)C(=O)O Amb27440834 [0,1,0,0,0,0|2,0,0]=3 782 B9R0.11 CC(=O)C(C)(C)CC(=O)O Amb594714 [0,1,0,0,0,0|2,0,0]=3 783 B9R0.11 CC(=O)C(C)(C)CC(N)=O Amb26055921 [0,1,0,0,0,0|3,0,0]=4 784 B9R0.11 CC(=O)CC(C)(C)C(=O)O Amb18644092 [0,1,0,0,0,0|2,0,0]=3 785 B9R0.11 CC(=O)CC(C)(C)C(=O)S Amb28201149 [0,1,0,0,0,0|2,1,0]=4 786 B9R0.11 CC(=O)CC(C)(S)C(=O)O Amb27984551 [0,1,0,0,0,0|2,0,0]=3 787 B9R0.11 CC(=O)C[C@](C)(O)C(=O)O Amb27170683 [0,1,0,0,0,0|2,0,0]=3 788 B9R0.11 CC(=O)NC(C)(C)C(=O)O Amb13952726 [0,1,0,0,0,0|3,0,0]=4 789 B9R0.11 CC(=O)NC(C)(N)C(=O)O Amb27881127 [0,1,0,0,0,0|2,0,0]=3 790 B9R0.11 CC(=O)OC(C)(C)C(=O)O Amb18644243 [0,1,0,0,0,0|3,0,0]=4 791 B9R0.11 CC(=O)SC(C)(C)C(=O)O Amb17607677 [0,1,0,0,0,0|3,0,0]=4 792 B9R0.11 CC(=O)SC(F)(F)C(=O)O Amb27252817 [0,1,0,0,0,0|3,0,0]=4 793 B9R0.11 CC(C)(CC(=O)O)C(=O)Cl Amb27449457 [0,1,0,0,0,0|2,0,0]=3 794 B9R0.11 CC(C)(CC(=O)O)C(=O)O Amb9787793 [0,1,0,0,0,0|1,0,0]=2 795 B9R0.11 CC(C)(CC(=O)O)C(N)=S Amb17466449 [0,1,0,0,0,0|2,1,0]=4 796 B9R0.11 CC(C)(CC(N)=S)C(=O)O Amb27614963 [0,1,0,0,0,0|2,1,0]=4 797 B9R0.11 CC(C)(NC(N)=O)C(=O)O Amb9825347 [0,1,0,0,0,0|3,0,0]=4 798 B9R0.11 CC(C)C(C)(N)CC(=O)O Amb25934755 [0,1,0,0,0,0|2,0,1]=4 799 B9R0.11 CC(C)CC(C)(N)C(=O)O Amb4134832 [0,1,0,0,0,0|2,0,1]=4 800 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O Amb8630501 [0,1,0,0,0,0|2,0,1]=4 801 B9R0.11 CC(C)C[C@](C)(N)C(=O)O Amb10066904 [0,1,0,0,0,0|2,0,1]=4 802 B9R0.11 CC(C)[C@@](C)(N)CC(=O)O Amb27185746 [0,1,0,0,0,0|2,0,1]=4 803 B9R0.11 CC(C)[C@](C)(N)CC(=O)O Amb28346262 [0,1,0,0,0,0|2,0,1]=4 804 B9R0.11 CC(Cl)(CC(=O)O)C(=O)O Amb18126463 [0,1,0,0,0,0|1,0,0]=2 805 B9R0.11 CC(Cl)(CS(=O)O)C(=O)O Amb27781534 [0,1,0,0,0,0|2,0,0]=3 806 B9R0.11 CC(N)(CC(=O)O)C(=O)O Amb10807406 [0,1,0,0,0,0|0,0,0]=1 807 B9R0.11 CC(N)(CC(=O)O)C(F)F Amb32787868 [0,1,0,0,0,0|2,0,1]=4 808 B9R0.11 CC(N)(CC(=O)O)C(F)F Amb35788392 [0,1,0,0,0,0|2,0,1]=4 809 B9R0.11 CC(N)(CC(=O)O)[PH](=O)O Amb25701546 [0,1,0,0,0,0|1,0,0]=2 810 B9R0.11 CC(N)(CC(N)=O)C(=O)O Amb28131361 [0,1,0,0,0,0|1,0,0]=2 811 B9R0.11 CC(N)C(C)(N)CC(=O)O Amb33255266 [0,1,0,0,0,0|2,0,1]=4 812 B9R0.11 CC(O)(CC(=O)O)C(=O)O Amb6366309 [0,1,0,0,0,0|1,0,0]=2 813 B9R0.11 CC(O)CC(C)(N)C(=O)O Amb28289237 [0,1,0,0,0,0|1,0,1]=3 814 B9R0.11 CC(O)CC(C)(N)C(N)=O Amb35725166 [0,1,0,0,0,0|2,0,1]=4 815 B9R0.11 CN(C)CC(C)(N)C(=O)O Amb18294465 [0,1,0,0,0,0|3,0,0]=4 816 B9R0.11 CN(O)C(C)(C)CC(=O)O Amb30025601 [0,1,0,0,0,0|3,0,0]=4 817 B9R0.11 CN(O)CC(C)(O)C(=O)O Amb28349124 [0,1,0,0,0,0|3,0,0]=4 818 B9R0.11 CN(O)CC(F)(F)C(=O)O Amb33169729 [0,1,0,0,0,0|3,0,0]=4 819 B9R0.11 CS(=O)C(C)(C)CC(=O)O Amb28128345 [0,1,0,0,0,0|3,0,0]=4 820 B9R0.11 CS(=O)CC(C)(C)C(=O)O Amb28049647 [0,1,0,0,0,0|3,0,0]=4 821 B9R0.11 CS(=O)CC(C)(O)C(=O)O Amb27984742 [0,1,0,0,0,0|3,0,0]=4 822 B9R0.11 CS(=O)CC(F)(F)C(=O)O Amb33169820 [0,1,0,0,0,0|3,0,0]=4 823 B9R0.11 C[C@@](N)(CC(N)=O)C(=O)O Amb22225025 [0,1,0,0,0,0|1,0,0]=2 824 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O Amb10601663 [0,1,0,0,0,0|0,0,0]=1 825 B9R0.11 C[C@](N)(CC(N)=O)C(=O)O Amb27195940 [0,1,0,0,0,0|1,0,0]=2 826 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O Amb26398856 [0,1,0,0,0,0|1,0,0]=2 827 B9R0.11 NC(=O)CC(N)(O)C(=O)O Amb27794741 [0,1,0,0,0,0|1,0,0]=2 828 B9R0.11 NC(=O)C[C@@](N)(O)C(=O)O Amb28348701 [0,1,0,0,0,0|1,0,0]=2 829 B9R0.11 O=C(O)CC(Cl)(Cl)C(=O)O Amb27971430 [0,1,0,0,0,0|1,0,0]=2 830 B9R0.11 O=C(O)CC(F)(F)C(=O)O Amb2732193 [0,1,0,0,0,0|1,0,0]=2 831 B9R0.23 C=C(Br)C[C@@H](N)C(=O)OC Amb27248287 [0,1,0,0,0,0|2,0,0]=3 832 B9R0.23 C=C(C)CC(C)C(=O)OC Amb27857780 [0,1,0,0,0,0|3,0,0]=4 833 B9R0.23 C=C(C)CC(Cl)C(=O)OC Amb28051409 [0,1,0,0,0,0|3,0,0]=4 834 B9R0.23 C=C(C)CC(N)C(=O)OC Amb26654974 [0,1,0,0,0,0|2,0,0]=3 835 B9R0.23 C=C(C)CC(O)C(=O)OC Amb24464009 [0,1,0,0,0,0|3,0,0]=4 836 B9R0.23 C=C(C)C[C@@H](O)C(=O)OC Amb27219810 [0,1,0,0,0,0|3,0,0]=4 837 B9R0.23 C=C(CC(=O)O)C(=O)OC Amb4034427 [0,1,0,0,0,0|1,0,1]=3 838 B9R0.23 C=C(CC)C(N)CC(=O)O Amb25068441 [0,1,0,0,0,0|2,0,0]=3 839 B9R0.23 C=C(CC)C(N)CC(N)=O Amb28247069 [0,1,0,0,0,0|3,0,0]=4 840 B9R0.23 C=C(Cl)CC(N)C(=O)OC Amb18645938 [0,1,0,0,0,0|2,0,0]=3 841 B9R0.23 C=C(F)C[C@H](N)C(=O)NC Amb27215016 [0,1,0,0,0,0|3,0,0]=4 842 B9R0.23 C=CC(=O)N(C)CC(=O)O Amb6267159 [0,1,0,0,0,0|3,0,0]=4 843 B9R0.23 C=CC(=O)N(O)CC(=O)O Amb27175200 [0,1,0,0,0,0|3,0,0]=4 844 B9R0.23 CC(C)CC(N)C(=O)NO Amb27264492 [0,1,0,0,0,0|2,0,1]=4 845 B9R0.23 CC(C)C[C@H](N)C(=O)NO Amb24440728 [0,1,0,0,0,0|2,0,1]=4 846 B9R0.23 CC(C=O)C(C)CC(=O)O Amb27838156 [0,1,0,0,0,0|2,0,1]=4 847 B9R0.23 CC(CC(=O)O)C(N)CO Amb27843636 [0,1,0,0,0,0|2,0,1]=4 848 B9R0.23 CCC(=O)N(C)CC(=O)O Amb1113094 [0,1,0,0,0,0|3,0,0]=4 849 B9R0.23 CCC(C)C(N)CC(=O)O Amb2438880 [0,1,0,0,0,0|2,0,1]=4 850 B9R0.23 CCC(C)[C@@H](N)CC(=O)O Amb28455466 [0,1,0,0,0,0|2,0,1]=4 851 B9R0.23 CCC(C)[C@H](N)CC(=O)O Amb25117039 [0,1,0,0,0,0|2,0,1]=4 852 B9R0.23 CCS(=O)C(C)CC(=O)O Amb19012075 [0,1,0,0,0,0|3,0,0]=4 853 B9R0.23 CC[C@@H](C)C(N)CC(=O)O Amb32687892 [0,1,0,0,0,0|2,0,1]=4 854 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O Amb25689818 [0,1,0,0,0,0|2,0,1]=4 855 B9R0.23 CC[C@H](C)C(N)CC(=O)O Amb32687890 [0,1,0,0,0,0|2,0,1]=4 856 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O Amb16184016 [0,1,0,0,0,0|2,0,1]=4 857 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Amb19944304 [0,1,0,0,0,0|2,0,1]=4 858 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Amb25068405 [0,1,0,0,0,0|2,0,1]=4 859 B9R0.23 CC[C@H](O)[C@@H](N)CC(=O)O Amb27469484 [0,1,0,0,0,0|1,0,1]=3 860 B9R0.23 CN(CC(=O)O)C(=O)CCl Amb21956220 [0,1,0,0,0,0|3,0,0]=4 861 B9R0.23 CN(CC(=O)O)C(=O)CN Amb21929346 [0,1,0,0,0,0|3,0,0]=4 862 B9R0.23 CN(CC(=O)O)C(=O)CO Amb25848387 [0,1,0,0,0,0|2,0,0]=3 863 B9R0.23 CN(CC(=O)O)C(=O)CS Amb27406788 [0,1,0,0,0,0|2,1,0]=4 864 B9R0.23 CNC(=O)C(C)CC(N)=O Amb17334220 [0,1,0,0,0,0|3,0,0]=4 865 B9R0.23 CNC(=O)C(N)CC(=O)O Amb18862479 [0,1,0,0,0,0|1,0,0]=2 866 B9R0.23 CNC(=O)C(N)CC(N)=O Amb18968977 [0,1,0,0,0,0|2,0,0]=3 867 B9R0.23 COC(=O)C(=O)CC(C)=O Amb1155424 [0,1,0,0,0,0|2,0,1]=4 868 B9R0.23 COC(=O)C(Br)CC(=O)O Amb18656999 [0,1,0,0,0,0|1,0,0]=2 869 B9R0.23 COC(=O)C(C)CC(=O)O Amb18644248 [0,1,0,0,0,0|1,0,0]=2 870 B9R0.23 COC(=O)C(C)CC(C)=O Amb27465860 [0,1,0,0,0,0|2,0,0]=3 871 B9R0.23 COC(=O)C(C)CS(=O)Cl Amb32720544 [0,1,0,0,0,0|3,0,0]=4 872 B9R0.23 COC(=O)C(C)CS(=O)[O-] Amb32754342 [0,1,0,0,0,0|2,0,1]=4 873 B9R0.23 COC(=O)C(C)CS(N)=O Amb32720545 [0,1,0,0,0,0|3,0,0]=4 874 B9R0.23 COC(=O)C(C)C[PH](=O)O Amb27826336 [0,1,0,0,0,0|2,0,0]=3 875 B9R0.23 COC(=O)C(C)NC(C)=O Amb24650565 [0,1,0,0,0,0|3,0,0]=4 876 B9R0.23 COC(=O)C(C)NC(N)=O Amb20407420 [0,1,0,0,0,0|3,0,0]=4 877 B9R0.23 COC(=O)C(Cl)CC(=O)O Amb27589899 [0,1,0,0,0,0|1,0,0]=2 878 B9R0.23 COC(=O)C(Cl)CS(=O)Cl Amb32720436 [0,1,0,0,0,0|3,0,0]=4 879 B9R0.23 COC(=O)C(Cl)CS(=O)[O-] Amb32755396 [0,1,0,0,0,0|2,0,1]=4 880 B9R0.23 COC(=O)C(Cl)CS(N)=O Amb32720437 [0,1,0,0,0,0|3,0,0]=4 881 B9R0.23 COC(=O)C(Cl)NC(C)=O Amb28193243 [0,1,0,0,0,0|3,0,0]=4 882 B9R0.23 COC(=O)C(F)CC(=O)O Amb27837974 [0,1,0,0,0,0|1,0,0]=2 883 B9R0.23 COC(=O)C(N)CC(=O)O Amb18644309 [0,1,0,0,0,0|0,0,0]=1 884 B9R0.23 COC(=O)C(N)CC(C)=O Amb25367296 [0,1,0,0,0,0|1,0,0]=2 885 B9R0.23 COC(=O)C(N)CC(C)C Amb1152419 [0,1,0,0,0,0|2,0,1]=4 886 B9R0.23 COC(=O)C(N)CC(C)C Amb22489476 [0,1,0,0,0,0|2,0,1]=4 887 B9R0.23 COC(=O)C(N)CC(C)C Amb932819 [0,1,0,0,0,0|2,0,1]=4 888 B9R0.23 COC(=O)C(N)CC(C)O Amb33065512 [0,1,0,0,0,0|1,0,1]=3 889 B9R0.23 COC(=O)C(N)CC(Cl)Cl Amb28121067 [0,1,0,0,0,0|2,0,1]=4 890 B9R0.23 COC(=O)C(N)CC(F)F Amb22059458 [0,1,0,0,0,0|2,0,1]=4 891 B9R0.23 COC(=O)C(N)CC(F)F Amb32693476 [0,1,0,0,0,0|2,0,1]=4 892 B9R0.23 COC(=O)C(N)CC(N)=O Amb16243083 [0,1,0,0,0,0|1,0,0]=2 893 B9R0.23 COC(=O)C(N)CC(N)=O Amb17601698 [0,1,0,0,0,0|1,0,0]=2 894 B9R0.23 COC(=O)C(N)CN(C)C Amb24715537 [0,1,0,0,0,0|3,0,0]=4 895 B9R0.23 COC(=O)C(N)CN(C)C Amb28555446 [0,1,0,0,0,0|3,0,0]=4 896 B9R0.23 COC(=O)C(O)CC(=O)O Amb17615865 [0,1,0,0,0,0|1,0,0]=2 897 B9R0.23 COC(=O)C(O)CC(N)=O Amb27655536 [0,1,0,0,0,0|2,0,0]=3 898 B9R0.23 COC(=O)N(C)CC(=O)O Amb6668732 [0,1,0,0,0,0|2,0,0]=3 899 B9R0.23 COC(=O)[C@@H](Br)CC(N)=O Amb27789593 [0,1,0,0,0,0|2,0,0]=3 900 B9R0.23 COC(=O)[C@@H](C)NC(C)=O Amb17621817 [0,1,0,0,0,0|3,0,0]=4 901 B9R0.23 COC(=O)[C@@H](C)OC(C)=O Amb28314265 [0,1,0,0,0,0|3,0,0]=4 902 B9R0.23 COC(=O)[C@@H](F)CC(=O)O Amb27406311 [0,1,0,0,0,0|1,0,0]=2 903 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb22746069 [0,1,0,0,0,0|0,0,0]=1 904 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb8390387 [0,1,0,0,0,0|0,0,0]=1 905 B9R0.23 COC(=O)[C@@H](N)CC(=O)[O-] Amb22231950 [0,1,0,0,0,0|0,0,1]=2 906 B9R0.23 COC(=O)[C@@H](N)CC(C)C Amb533935 [0,1,0,0,0,0|2,0,1]=4 907 B9R0.23 COC(=O)[C@@H](N)CC(C)C Amb8513236 [0,1,0,0,0,0|2,0,1]=4 908 B9R0.23 COC(=O)[C@@H](N)CC(Cl)Cl Amb27444622 [0,1,0,0,0,0|2,0,1]=4 909 B9R0.23 COC(=O)[C@@H](N)CC(F)F Amb28187129 [0,1,0,0,0,0|2,0,1]=4 910 B9R0.23 COC(=O)[C@@H](N)CC(N)=O Amb8390381 [0,1,0,0,0,0|1,0,0]=2 911 B9R0.23 COC(=O)[C@@H](N)CN(C)C Amb31295179 [0,1,0,0,0,0|3,0,0]=4 912 B9R0.23 COC(=O)[C@@H](O)CC(=O)O Amb17615867 [0,1,0,0,0,0|1,0,0]=2 913 B9R0.23 COC(=O)[C@H](C)CC(=O)Cl Amb28050543 [0,1,0,0,0,0|2,0,0]=3 914 B9R0.23 COC(=O)[C@H](C)CC(=O)O Amb24561954 [0,1,0,0,0,0|1,0,0]=2 915 B9R0.23 COC(=O)[C@H](C)NC(C)=O Amb4034849 [0,1,0,0,0,0|3,0,0]=4 916 B9R0.23 COC(=O)[C@H](C)NC(N)=O Amb27948545 [0,1,0,0,0,0|3,0,0]=4 917 B9R0.23 COC(=O)[C@H](Cl)CC(=O)O Amb27232518 [0,1,0,0,0,0|1,0,0]=2 918 B9R0.23 COC(=O)[C@H](N)CC(=O)O Amb19944281 [0,1,0,0,0,0|0,0,0]=1 919 B9R0.23 COC(=O)[C@H](N)CC(C)C Amb2719741 [0,1,0,0,0,0|2,0,1]=4 920 B9R0.23 COC(=O)[C@H](N)CC(C)C Amb3941143 [0,1,0,0,0,0|2,0,1]=4 921 B9R0.23 COC(=O)[C@H](N)CC(F)F Amb33482999 [0,1,0,0,0,0|2,0,1]=4 922 B9R0.23 COC(=O)[C@H](N)CC(F)F Amb33483000 [0,1,0,0,0,0|2,0,1]=4 923 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb19883963 [0,1,0,0,0,0|1,0,0]=2 924 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb27597987 [0,1,0,0,0,0|1,0,0]=2 925 B9R0.23 COC(=O)[C@H](O)CC(=O)O Amb17615866 [0,1,0,0,0,0|1,0,0]=2 926 B9R0.23 COC(=O)[C@H](O)CC(N)=O Amb27623997 [0,1,0,0,0,0|2,0,0]=3 927 B9R0.23 COC(=O)\C(Br)=C\C(=O)O Amb15695379 [0,1,0,0,0,0|1,0,2]=4 928 B9R0.23 COC(=O)\C(C)=C\C(=O)O Amb27221493 [0,1,0,0,0,0|1,0,2]=4 929 B9R0.23 COC(=O)\C(F)=C\C(=O)O Amb28288995 [0,1,0,0,0,0|1,0,2]=4 930 B9R0.23 COC(=O)\C(N)=C\C(C)=O Amb24411031 [0,1,0,0,0,0|1,0,2]=4 931 B9R0.23 COC(=O)\C(N)=C\C(N)=O Amb27254114 [0,1,0,0,0,0|1,0,2]=4 932 B9R0.23 COC(=S)N(C)CC(=O)O Amb24514158 [0,1,0,0,0,0|2,1,0]=4 933 B9R0.23 COC(C)C(C)CC(=O)O Amb18202340 [0,1,0,0,0,0|2,0,1]=4 934 B9R0.23 COC(C)C(N)CC(=O)O Amb26567214 [0,1,0,0,0,0|1,0,1]=3 935 B9R0.23 COC(C)C(N)CC(N)=O Amb26580109 [0,1,0,0,0,0|2,0,1]=4 936 B9R0.23 CO[C@H](C)[C@H](N)CC(=O)O Amb35788177 [0,1,0,0,0,0|1,0,1]=3 937 B9R0.23 CO[C@H](C)[C@H](N)CC(=O)O Amb35789671 [0,1,0,0,0,0|1,0,1]=3 938 B9R0.23 C[C@H](C=O)[C@@H](C)CC(=O)O Amb27874077 [0,1,0,0,0,0|2,0,1]=4 939 B9R0.23 C\C(=C/N)C(N)CC(=O)O Amb28075172 [0,1,0,0,0,0|2,0,0]=3 940 B9R0.23 C\C(=C/N)C(N)CC(N)=O Amb28314171 [0,1,0,0,0,0|3,0,0]=4 941 B9R0.23 C\C(=N/O)C(O)CC(=O)O Amb27223478 [0,1,0,0,0,0|2,0,0]=3 942 B9R0.23 C\C=C(\C)C(N)CC(=O)O Amb28245387 [0,1,0,0,0,0|2,0,0]=3 943 B9R0.23 NC(=O)CC(N)[C@H](O)CO Amb28050874 [0,1,0,0,0,0|1,0,2]=4 944 B9R0.23 NC(CC(=O)O)C(O)CF Amb28071644 [0,1,0,0,0,0|1,0,1]=3 945 B9R0.23 NC(CO)C(N)CC(=O)O Amb27804493 [0,1,0,0,0,0|1,0,1]=3 946 B9R0.23 NNC(=O)C(N)CC(=O)O Amb26438038 [0,1,0,0,0,0|1,0,0]=2 947 B9R0.23 NNC(=O)C(N)CC(=O)O Amb35750707 [0,1,0,0,0,0|1,0,0]=2 948 B9R0.23 NNC(=O)C(N)CC(N)=O Amb27265356 [0,1,0,0,0,0|2,0,0]=3 949 B9R0.23 N[C@@H](CO)[C@H](N)CC(=O)O Amb27594534 [0,1,0,0,0,0|1,0,1]=3 950 B9R0.23 N[C@H](CC(=O)O)C(=O)NO Amb27413035 [0,1,0,0,0,0|0,0,0]=1 951 B9R0.23 N\N=C(\N)N(N)CC(=O)O Amb24502285 [0,1,0,0,0,0|3,0,0]=4 952 B9R0.23 O=C(O)CC(Br)C(=O)CBr Amb15772353 [0,1,0,0,0,0|2,0,0]=3 953 B9R0.23 O=C(O)CC(S)C(=O)CS Amb27758589 [0,1,0,0,0,0|1,1,0]=3 954 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO Amb24726353 [0,1,0,0,0,0|1,0,2]=4 955 B9R0.39 C#CC(NC(C)=O)C(=O)O Amb27411184 [0,1,0,0,0,0|3,0,0]=4 956 B9R0.39 C#C[C@@H](NC(C)=O)C(=O)O Amb27393972 [0,1,0,0,0,0|3,0,0]=4 957 B9R0.39 C=C(C)C(CC)CC(=O)O Amb27655611 [0,1,0,0,0,0|3,0,0]=4 958 B9R0.39 C=C(C)C(CN)CC(=O)O Amb33199956 [0,1,0,0,0,0|2,0,0]=3 959 B9R0.39 C=C(C)CC(C#N)C(=O)O Amb35741470 [0,1,0,0,0,0|2,0,1]=4 960 B9R0.39 C=C(C)CC(OC)C(=O)O Amb26386702 [0,1,0,0,0,0|3,0,0]=4 961 B9R0.39 C=C(C)C[C@@H](CC)C(=O)O Amb27785162 [0,1,0,0,0,0|3,0,0]=4 962 B9R0.39 C=C[C@@H](NC(C)=O)C(=O)O Amb28050121 [0,1,0,0,0,0|3,0,0]=4 963 B9R0.39 CC(=O)CC(C=O)C(=O)O Amb28048038 [0,1,0,0,0,0|2,0,0]=3 964 B9R0.39 CC(=O)N(CC(=O)O)N=O Amb27391141 [0,1,0,0,0,0|2,0,1]=4 965 B9R0.39 CC(=O)NC(CCl)C(=O)O Amb27494110 [0,1,0,0,0,0|3,0,0]=4 966 B9R0.39 CC(=O)NC(CN)C(=O)O Amb28128874 [0,1,0,0,0,0|2,0,0]=3 967 B9R0.39 CC(=O)NC(CO)C(=O)O Amb1115493 [0,1,0,0,0,0|3,0,0]=4 968 B9R0.39 CC(=O)NC(CS)C(=O)O Amb1112748 [0,1,0,0,0,0|3,0,0]=4 969 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O Amb22746917 [0,1,0,0,0,0|3,0,0]=4 970 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Amb2684240 [0,1,0,0,0,0|3,0,0]=4 971 B9R0.39 CC(=O)N[C@H](CCl)C(=O)O Amb27171775 [0,1,0,0,0,0|3,0,0]=4 972 B9R0.39 CC(=O)N[C@H](CS)C(=O)O Amb25887589 [0,1,0,0,0,0|3,0,0]=4 973 B9R0.39 CC(=O)OC(CCl)C(=O)O Amb27796012 [0,1,0,0,0,0|3,0,0]=4 974 B9R0.39 CC(=O)O[C@@H](CN)C(=O)O Amb27874054 [0,1,0,0,0,0|2,0,0]=3 975 B9R0.39 CC(C)C(CN)CC(=O)O Amb26910759 [0,1,0,0,0,0|2,0,1]=4 976 B9R0.39 CC(C)CC(CN)C(=O)O Amb19021764 [0,1,0,0,0,0|2,0,1]=4 977 B9R0.39 CC(C)CC(CN)C(=O)O Amb28555451 [0,1,0,0,0,0|2,0,1]=4 978 B9R0.39 CC(C)CC(NCl)C(=O)O Amb27401848 [0,1,0,0,0,0|2,0,1]=4 979 B9R0.39 CC(C)CC(ON)C(=O)O Amb18644321 [0,1,0,0,0,0|2,0,1]=4 980 B9R0.39 CC(C)CC(ON)C(=O)O Amb33484371 [0,1,0,0,0,0|2,0,1]=4 981 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Amb22756732 [0,1,0,0,0,0|2,0,1]=4 982 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Amb22756740 [0,1,0,0,0,0|2,0,1]=4 983 B9R0.39 CC(C)C[C@@H](NN)C(=O)O Amb27424998 [0,1,0,0,0,0|2,0,1]=4 984 B9R0.39 CC(C)C[C@@H](ON)C(=O)O Amb27975779 [0,1,0,0,0,0|2,0,1]=4 985 B9R0.39 CC(C)C[C@H](CN)C(=O)O Amb26390781 [0,1,0,0,0,0|2,0,1]=4 986 B9R0.39 CC(C)C[C@H](CN)C(=O)O Amb32620226 [0,1,0,0,0,0|2,0,1]=4 987 B9R0.39 CC(C)C[C@H](NN)C(=O)O Amb27488207 [0,1,0,0,0,0|2,0,1]=4 988 B9R0.39 CC(Cl)CC(CN)C(=O)O Amb28396430 [0,1,0,0,0,0|2,0,1]=4 989 B9R0.39 CC(O)CC(C#N)C(=O)O Amb35741473 [0,1,0,0,0,0|1,0,2]=4 990 B9R0.39 CCC(CC(=O)Cl)C(=O)Cl Amb26921552 [0,1,0,0,0,0|3,0,0]=4 991 B9R0.39 CCC(CC(=O)O)C(=O)O Amb10071696 [0,1,0,0,0,0|1,0,0]=2 992 B9R0.39 CCC(CC(=O)O)C(C)O Amb18831453 [0,1,0,0,0,0|2,0,1]=4 993 B9R0.39 CCC(CC(C)=O)C(=O)O Amb18644109 [0,1,0,0,0,0|2,0,0]=3 994 B9R0.39 CCC(CC(C)=O)C(C)=O Amb27403023 [0,1,0,0,0,0|3,0,0]=4 995 B9R0.39 CCC(CC(C)O)C(=O)O Amb27254121 [0,1,0,0,0,0|2,0,1]=4 996 B9R0.39 CCC(NC(C)=O)C(=O)O Amb2099651 [0,1,0,0,0,0|3,0,0]=4 997 B9R0.39 CCC(NC(N)=O)C(=O)O Amb435947 [0,1,0,0,0,0|3,0,0]=4 998 B9R0.39 CCC(OC(N)=O)C(=O)O Amb28283574 [0,1,0,0,0,0|3,0,0]=4 999 B9R0.39 CCN(CC(=O)O)C(C)=O Amb17399887 [0,1,0,0,0,0|3,0,0]=4 1000 B9R0.39 CCN(CC(=O)O)C(N)=O Amb18999255 [0,1,0,0,0,0|3,0,0]=4 1001 B9R0.39 CC[C@@H](CC(=O)O)C(=O)O Amb27830576 [0,1,0,0,0,0|1,0,0]=2 1002 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O Amb3941467 [0,1,0,0,0,0|3,0,0]=4 1003 B9R0.39 CC[C@H](CC(=O)O)C(=O)O Amb24643194 [0,1,0,0,0,0|1,0,0]=2 1004 B9R0.39 CC[C@H](NC(C)=O)C(=O)O Amb3990111 [0,1,0,0,0,0|3,0,0]=4 1005 B9R0.39 CC[C@H](OC(C)=O)C(=O)O Amb27948340 [0,1,0,0,0,0|3,0,0]=4 1006 B9R0.39 CC\C(=C/C(=O)O)C(=O)O Amb27421975 [0,1,0,0,0,0|1,0,2]=4 1007 B9R0.39 CNC(CC(=O)O)C(=O)O Amb1905634 [0,1,0,0,0,0|0,0,0]=1 1008 B9R0.39 CNC(CC(=O)O)C(=O)O Amb30867747 [0,1,0,0,0,0|0,0,0]=1 1009 B9R0.39 CNC(CC(=O)O)C(C)=O Amb18611382 [0,1,0,0,0,0|1,0,0]=2 1010 B9R0.39 CNC(CC(=O)O)C(C)C Amb27209417 [0,1,0,0,0,0|2,0,1]=4 1011 B9R0.39 CNC(CC(C)C)C(=O)O Amb22274694 [0,1,0,0,0,0|2,0,1]=4 1012 B9R0.39 CNC(CC(C)C)C(=O)O Amb9283589 [0,1,0,0,0,0|2,0,1]=4 1013 B9R0.39 CNC(CC(N)=O)C(=O)O Amb18644255 [0,1,0,0,0,0|1,0,0]=2 1014 B9R0.39 CNC(CN(C)C)C(=O)O Amb28388875 [0,1,0,0,0,0|3,0,0]=4 1015 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Amb3499450 [0,1,0,0,0,0|0,0,0]=1 1016 B9R0.39 CN[C@@H](CC(C)C)C(=O)O Amb16183858 [0,1,0,0,0,0|2,0,1]=4 1017 B9R0.39 CN[C@@H](CC(C)C)C(=O)O Amb2779901 [0,1,0,0,0,0|2,0,1]=4 1018 B9R0.39 CN[C@H](CC(=O)O)C(=O)O Amb8515692 [0,1,0,0,0,0|0,0,0]=1 1019 B9R0.39 CN[C@H](CC(C)C)C(=O)O Amb10842218 [0,1,0,0,0,0|2,0,1]=4 1020 B9R0.39 CN[C@H](CC(C)C)C(=O)O Amb22745995 [0,1,0,0,0,0|2,0,1]=4 1021 B9R0.39 CN[C@H](CC(N)=O)C(=O)O Amb28049962 [0,1,0,0,0,0|1,0,0]=2 1022 B9R0.39 COC(CC(=O)O)C(C)=O Amb27952022 [0,1,0,0,0,0|2,0,0]=3 1023 B9R0.39 COC(CC(=O)O)C(N)=O Amb23536075 [0,1,0,0,0,0|2,0,0]=3 1024 B9R0.39 CO[C@H](CC(=O)O)C(=O)O Amb27849552 [0,1,0,0,0,0|1,0,0]=2 1025 B9R0.39 CSC(CC(=O)O)C(=O)O Amb18646024 [0,1,0,0,0,0|1,0,0]=2 1026 B9R0.39 C[NH2+]C(CC(=O)[O-])C(=O)[O-] Amb33512929 [0,1,0,0,0,0|0,0,3]=4 1027 B9R0.39 C\C(Cl)=C/C(ON)C(=O)O Amb27252200 [0,1,0,0,0,0|2,0,1]=4 1028 B9R0.39 C\C=C(/CC(=O)O)C(=O)O Amb8631758 [0,1,0,0,0,0|1,0,1]=3 1029 B9R0.39 C\C=C(\CC(=O)O)C(=O)O Amb25292254 [0,1,0,0,0,0|1,0,1]=3 1030 B9R0.39 N#C\C(=C\C(=O)O)C(=O)O Amb28074279 [0,1,0,0,0,0|0,0,3]=4 1031 B9R0.39 N=CC(CC(=O)O)C(=O)O Amb27653604 [0,1,0,0,0,0|0,0,1]=2 1032 B9R0.39 NC(=O)CC(CO)C(=O)O Amb28411495 [0,1,0,0,0,0|2,0,0]=3 1033 B9R0.39 NC(=O)CC(NO)C(=O)O Amb27168203 [0,1,0,0,0,0|1,0,0]=2 1034 B9R0.39 NC(=O)C[C@H](NO)C(=O)O Amb28364297 [0,1,0,0,0,0|1,0,0]=2 1035 B9R0.39 NC(=O)N(CC(=O)O)N=O Amb25683110 [0,1,0,0,0,0|2,0,1]=4 1036 B9R0.39 NC(=O)NC(CF)C(=O)O Amb28187932 [0,1,0,0,0,0|3,0,0]=4 1037 B9R0.39 NC(=O)NC(CO)C(=O)O Amb1055147 [0,1,0,0,0,0|3,0,0]=4 1038 B9R0.39 NC(=O)NC(CS)C(=O)O Amb1119403 [0,1,0,0,0,0|3,0,0]=4 1039 B9R0.39 NC(=O)N[C@@H](CF)C(=O)O Amb26454171 [0,1,0,0,0,0|3,0,0]=4 1040 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O Amb17610484 [0,1,0,0,0,0|3,0,0]=4 1041 B9R0.39 NCC(CC(=O)O)C(=O)O Amb22546423 [0,1,0,0,0,0|0,0,0]=1 1042 B9R0.39 NCC(CC(=O)O)C(=O)O Amb24538047 [0,1,0,0,0,0|0,0,0]=1 1043 B9R0.39 NCC(CC(=O)O)C(F)F Amb27192581 [0,1,0,0,0,0|2,0,1]=4 1044 B9R0.39 NCC(CC(=O)O)C(F)F Amb28555657 [0,1,0,0,0,0|2,0,1]=4 1045 B9R0.39 NNC(CC(=O)O)C(=O)O Amb28070991 [0,1,0,0,0,0|0,0,0]=1 1046 B9R0.39 NN[C@@H](CC(=O)O)C(=O)O Amb24117193 [0,1,0,0,0,0|0,0,0]=1 1047 B9R0.39 N\C=C(\CC(=O)O)C(=O)O Amb28050321 [0,1,0,0,0,0|0,0,1]=2 1048 B9R0.39 O=C(O)CC(CBr)C(=O)O Amb22752144 [0,1,0,0,0,0|1,0,0]=2 1049 B9R0.39 O=C(O)CC(CF)C(=O)O Amb33379249 [0,1,0,0,0,0|1,0,0]=2 1050 B9R0.39 O=C(O)CC(NCl)C(=O)O Amb27953217 [0,1,0,0,0,0|0,0,0]=1 1051 B9R0.39 O=C(O)CC(NO)C(=O)O Amb24685872 [0,1,0,0,0,0|0,0,0]=1 1052 B9R0.39 O=C(O)CC(NS)C(=O)O Amb25808901 [0,1,0,0,0,0|0,0,0]=1 1053 B9R0.39 O=C(O)C[C@H](NCl)C(=O)O Amb27401859 [0,1,0,0,0,0|0,0,0]=1 1054 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24117497 [0,1,0,0,0,0|0,0,0]=1 1055 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24630025 [0,1,0,0,0,0|0,0,0]=1 1056 B9R0.39 O=C(O)C\C(=N/O)C(=O)O Amb24117074 [0,1,0,0,0,0|0,0,2]=3 1057 B9R0.39 O=C(O)C\C(=N\O)C(=O)O Amb27828721 [0,1,0,0,0,0|0,0,2]=3 1058 B9R0.39 O=C\C(=C/C(=O)O)C(=O)O Amb18644051 [0,1,0,0,0,0|1,0,2]=4 1059 B9R0.42 C#CC(=O)N[C@@H](C)C(=O)O Amb28060769 [0,1,0,0,0,0|3,0,0]=4 1060 B9R0.42 C#C[C@@H](O)C[C@@H](N)C(=O)O Amb28321822 [0,1,0,0,0,0|1,0,1]=3 1061 B9R0.42 C=C(C)C(O)CC(=O)OC Amb27839501 [0,1,0,0,0,0|3,0,0]=4 1062 B9R0.42 C=C(C)[C@@H](O)CC(=O)OC Amb33199529 [0,1,0,0,0,0|3,0,0]=4 1063 B9R0.42 C=C(C)[C@H](O)CC(=O)OC Amb33199525 [0,1,0,0,0,0|3,0,0]=4 1064 B9R0.42 C=C(CC(=O)NC)C(=O)O Amb22269311 [0,1,0,0,0,0|2,0,1]=4 1065 B9R0.42 C=C(CC(=O)OC)C(=O)O Amb4035034 [0,1,0,0,0,0|1,0,1]=3 1066 B9R0.42 C=C(CC)CC(N)C(=O)O Amb28064280 [0,1,0,0,0,0|2,0,0]=3 1067 B9R0.42 C=C(CC)CC(N)C(N)=O Amb24429018 [0,1,0,0,0,0|3,0,0]=4 1068 B9R0.42 C=C(CC)C[C@@H](N)C(=O)O Amb26340266 [0,1,0,0,0,0|2,0,0]=3 1069 B9R0.42 C=C(CC)C[C@H](N)C(=O)O Amb25694434 [0,1,0,0,0,0|2,0,0]=3 1070 B9R0.42 C=C(Cl)C(O)CC(=O)OC Amb28050635 [0,1,0,0,0,0|3,0,0]=4 1071 B9R0.42 C=CC(=O)NC(O)C(=O)O Amb3940875 [0,1,0,0,0,0|3,0,0]=4 1072 B9R0.42 C=CC(=O)NC(O)C(=O)O Amb9790819 [0,1,0,0,0,0|3,0,0]=4 1073 B9R0.42 C=CC(=O)OC(C)C(=O)O Amb27592472 [0,1,0,0,0,0|3,0,0]=4 1074 B9R0.42 CC(=O)C(O)CC(=O)C=O Amb27480852 [0,1,0,0,0,0|2,0,1]=4 1075 B9R0.42 CC(=O)N(C)CC(=O)NO Amb28291755 [0,1,0,0,0,0|3,0,0]=4 1076 B9R0.42 CC(C#N)CC(N)C(=O)O Amb25262927 [0,1,0,0,0,0|2,0,1]=4 1077 B9R0.42 CC(C#N)C[C@@H](N)C(=O)O Amb33127539 [0,1,0,0,0,0|2,0,1]=4 1078 B9R0.42 CC(C#N)C[C@H](N)C(=O)O Amb33036873 [0,1,0,0,0,0|2,0,1]=4 1079 B9R0.42 CC(CC(=O)CCl)C(=O)O Amb24585160 [0,1,0,0,0,0|2,0,0]=3 1080 B9R0.42 CC(CF)CC(N)C(=O)O Amb27838056 [0,1,0,0,0,0|2,0,1]=4 1081 B9R0.42 CC(CO)CC(C)C(=O)O Amb27838009 [0,1,0,0,0,0|2,0,1]=4 1082 B9R0.42 CC(CO)CC(N)C(=O)O Amb25147300 [0,1,0,0,0,0|1,0,1]=3 1083 B9R0.42 CC(CO)CC(N)C(N)=O Amb32787927 [0,1,0,0,0,0|2,0,1]=4 1084 B9R0.42 CC(CO)C[C@@H](N)C(=O)O Amb33036727 [0,1,0,0,0,0|1,0,1]=3 1085 B9R0.42 CC(CO)C[C@H](N)C(=O)O Amb32865934 [0,1,0,0,0,0|1,0,1]=3 1086 B9R0.42 CC(NC(=O)C=O)C(=O)O Amb27830810 [0,1,0,0,0,0|2,0,1]=4 1087 B9R0.42 CC(NC(=O)CCl)C(=O)O Amb3940604 [0,1,0,0,0,0|3,0,0]=4 1088 B9R0.42 CC(NC(=O)CN)C(=O)O Amb533807 [0,1,0,0,0,0|3,0,0]=4 1089 B9R0.42 CC(O)C(O)CC(=O)CO Amb27615146 [0,1,0,0,0,0|2,0,1]=4 1090 B9R0.42 CC(OC(=O)CCl)C(=O)O Amb28042677 [0,1,0,0,0,0|3,0,0]=4 1091 B9R0.42 CC(OC(=O)CO)C(N)=O Amb28126899 [0,1,0,0,0,0|3,0,0]=4 1092 B9R0.42 CCC(=O)CC(N)C(=O)O Amb22546324 [0,1,0,0,0,0|1,0,0]=2 1093 B9R0.42 CCC(=O)CC(N)C(=O)O Amb24479073 [0,1,0,0,0,0|1,0,0]=2 1094 B9R0.42 CCC(=O)CC(N)C(N)=O Amb25129863 [0,1,0,0,0,0|2,0,0]=3 1095 B9R0.42 CCC(=O)CC(O)C(=O)O Amb27655574 [0,1,0,0,0,0|2,0,0]=3 1096 B9R0.42 CCC(=O)C[C@@H](N)C(=O)O Amb26061186 [0,1,0,0,0,0|1,0,0]=2 1097 B9R0.42 CCC(=O)C[C@H](N)C(=O)O Amb24479266 [0,1,0,0,0,0|1,0,0]=2 1098 B9R0.42 CCC(=O)NC(C)C(=O)O Amb1116933 [0,1,0,0,0,0|3,0,0]=4 1099 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O Amb22901053 [0,1,0,0,0,0|3,0,0]=4 1100 B9R0.42 CCC(C)CC(N)C(=O)O Amb18313985 [0,1,0,0,0,0|2,0,1]=4 1101 B9R0.42 CCC(C)CC(N)C(=O)O Amb20667726 [0,1,0,0,0,0|2,0,1]=4 1102 B9R0.42 CCC(C)C[C@@H](N)C(=O)O Amb25127143 [0,1,0,0,0,0|2,0,1]=4 1103 B9R0.42 CCC(C)C[C@H](N)C(=O)O Amb27471067 [0,1,0,0,0,0|2,0,1]=4 1104 B9R0.42 CCC(N)CC(N)C(=O)O Amb27205091 [0,1,0,0,0,0|2,0,1]=4 1105 B9R0.42 CCC(O)CC(C)C(=O)O Amb28348984 [0,1,0,0,0,0|2,0,1]=4 1106 B9R0.42 CCC(O)CC(Cl)C(=O)O Amb28244776 [0,1,0,0,0,0|2,0,1]=4 1107 B9R0.42 CCC(O)CC(N)C(=O)O Amb24117068 [0,1,0,0,0,0|1,0,1]=3 1108 B9R0.42 CCC(O)CC(N)C(N)=O Amb33308821 [0,1,0,0,0,0|2,0,1]=4 1109 B9R0.42 CCC(O)CC(O)C(=O)O Amb28050169 [0,1,0,0,0,0|2,0,1]=4 1110 B9R0.42 CCC(O)C[C@@H](N)C(=O)O Amb33065603 [0,1,0,0,0,0|1,0,1]=3 1111 B9R0.42 CCC(O)C[C@H](N)C(=O)O Amb24759913 [0,1,0,0,0,0|1,0,1]=3 1112 B9R0.42 CCN(C)CC(N)C(=O)O Amb27478110 [0,1,0,0,0,0|3,0,0]=4 1113 B9R0.42 CCS(=O)CC(C)C(=O)O Amb19012076 [0,1,0,0,0,0|3,0,0]=4 1114 B9R0.42 CCS(=O)CC(O)C(=O)O Amb28342085 [0,1,0,0,0,0|3,0,0]=4 1115 B9R0.42 CCS(=O)C[C@H](N)C(=O)O Amb28118843 [0,1,0,0,0,0|2,0,0]=3 1116 B9R0.42 CC[C@H](C)CC(N)C(=O)O Amb28364291 [0,1,0,0,0,0|2,0,1]=4 1117 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O Amb25662528 [0,1,0,0,0,0|2,0,1]=4 1118 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O Amb33620552 [0,1,0,0,0,0|2,0,1]=4 1119 B9R0.42 CNC(=O)CC(C)C(N)=O Amb17334219 [0,1,0,0,0,0|3,0,0]=4 1120 B9R0.42 CNC(=O)CC(N)C(=O)O Amb27839034 [0,1,0,0,0,0|1,0,0]=2 1121 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O Amb20240891 [0,1,0,0,0,0|1,0,0]=2 1122 B9R0.42 CNC(=O)NC(C)C(=O)O Amb1130316 [0,1,0,0,0,0|3,0,0]=4 1123 B9R0.42 CNC(=O)N[C@@H](C)C(=O)O Amb24478025 [0,1,0,0,0,0|3,0,0]=4 1124 B9R0.42 CNC(=O)N[C@H](C)C(=O)O Amb24558529 [0,1,0,0,0,0|3,0,0]=4 1125 B9R0.42 CNC(=O)OC(C)C(=O)O Amb35655772 [0,1,0,0,0,0|3,0,0]=4 1126 B9R0.42 CNC(=O)O[C@@H](C)C(=O)O Amb35647450 [0,1,0,0,0,0|3,0,0]=4 1127 B9R0.42 CNC(=O)O[C@H](C)C(=O)O Amb29866286 [0,1,0,0,0,0|3,0,0]=4 1128 B9R0.42 COC(=O)CC(=O)C(=O)O Amb22728219 [0,1,0,0,0,0|1,0,1]=3 1129 B9R0.42 COC(=O)CC(=O)C(=O)[O-] Amb34916317 [0,1,0,0,0,0|1,0,2]=4 1130 B9R0.42 COC(=O)CC(=O)C(C)=O Amb25146895 [0,1,0,0,0,0|2,0,1]=4 1131 B9R0.42 COC(=O)CC(Br)C(=O)O Amb18656998 [0,1,0,0,0,0|1,0,0]=2 1132 B9R0.42 COC(=O)CC(Br)C(C)=O Amb17403794 [0,1,0,0,0,0|2,0,0]=3 1133 B9R0.42 COC(=O)CC(Br)C(N)=O Amb27969234 [0,1,0,0,0,0|2,0,0]=3 1134 B9R0.42 COC(=O)CC(C)C(=N)N Amb27971074 [0,1,0,0,0,0|3,0,0]=4 1135 B9R0.42 COC(=O)CC(C)C(=O)Cl Amb27972299 [0,1,0,0,0,0|2,0,0]=3 1136 B9R0.42 COC(=O)CC(C)C(=O)O Amb18644239 [0,1,0,0,0,0|1,0,0]=2 1137 B9R0.42 COC(=O)CC(C)C(=O)[O-] Amb34915052 [0,1,0,0,0,0|1,0,1]=3 1138 B9R0.42 COC(=O)CC(C)[N+](=O)[O-] Amb27444812 [0,1,0,0,0,0|2,0,1]=4 1139 B9R0.42 COC(=O)CC(Cl)C(=O)O Amb32941126 [0,1,0,0,0,0|1,0,0]=2 1140 B9R0.42 COC(=O)CC(Cl)C(C)=O Amb25061154 [0,1,0,0,0,0|2,0,0]=3 1141 B9R0.42 COC(=O)CC(N)C(=O)O Amb22489498 [0,1,0,0,0,0|0,0,0]=1 1142 B9R0.42 COC(=O)CC(N)C(=O)O Amb7172558 [0,1,0,0,0,0|0,0,0]=1 1143 B9R0.42 COC(=O)CC(N)C(=O)O Amb8390391 [0,1,0,0,0,0|0,0,0]=1 1144 B9R0.42 COC(=O)CC(N)C(C)C Amb22168224 [0,1,0,0,0,0|2,0,1]=4 1145 B9R0.42 COC(=O)CC(N)C(C)C Amb26870018 [0,1,0,0,0,0|2,0,1]=4 1146 B9R0.42 COC(=O)CC(O)C(=O)O Amb25786182 [0,1,0,0,0,0|1,0,0]=2 1147 B9R0.42 COC(=O)CC(O)C(C)O Amb27969056 [0,1,0,0,0,0|2,0,1]=4 1148 B9R0.42 COC(=O)CC(O)C(N)=O Amb27830345 [0,1,0,0,0,0|2,0,0]=3 1149 B9R0.42 COC(=O)CC(O)[C@H](C)O Amb27455910 [0,1,0,0,0,0|2,0,1]=4 1150 B9R0.42 COC(=O)CN(C)C(=O)Cl Amb35749071 [0,1,0,0,0,0|3,0,0]=4 1151 B9R0.42 COC(=O)CN(C)C(C)=O Amb9263349 [0,1,0,0,0,0|3,0,0]=4 1152 B9R0.42 COC(=O)C[C@@H](C)C(=O)O Amb3939892 [0,1,0,0,0,0|1,0,0]=2 1153 B9R0.42 COC(=O)C[C@@H](C)C(C)=O Amb26846867 [0,1,0,0,0,0|2,0,0]=3 1154 B9R0.42 COC(=O)C[C@@H](C)C(N)=O Amb27169355 [0,1,0,0,0,0|2,0,0]=3 1155 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb22745861 [0,1,0,0,0,0|0,0,0]=1 1156 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb8385327 [0,1,0,0,0,0|0,0,0]=1 1157 B9R0.42 COC(=O)C[C@@H](N)C(C)C Amb26391960 [0,1,0,0,0,0|2,0,1]=4 1158 B9R0.42 COC(=O)C[C@@H](N)C(C)C Amb30640927 [0,1,0,0,0,0|2,0,1]=4 1159 B9R0.42 COC(=O)C[C@@H](N)[C@@H](C)O Amb28340873 [0,1,0,0,0,0|1,0,1]=3 1160 B9R0.42 COC(=O)C[C@@H](O)C(=O)O Amb23603858 [0,1,0,0,0,0|1,0,0]=2 1161 B9R0.42 COC(=O)C[C@H](Br)C(=O)O Amb26619839 [0,1,0,0,0,0|1,0,0]=2 1162 B9R0.42 COC(=O)C[C@H](C)C(=O)O Amb26967622 [0,1,0,0,0,0|1,0,0]=2 1163 B9R0.42 COC(=O)C[C@H](C)C(C)=O Amb26873807 [0,1,0,0,0,0|2,0,0]=3 1164 B9R0.42 COC(=O)C[C@H](N)C(=O)O Amb8629121 [0,1,0,0,0,0|0,0,0]=1 1165 B9R0.42 COC(=O)C[C@H](N)C(C)C Amb23401522 [0,1,0,0,0,0|2,0,1]=4 1166 B9R0.42 COC(=O)C[C@H](N)C(C)C Amb25865860 [0,1,0,0,0,0|2,0,1]=4 1167 B9R0.42 COC(=O)C[C@H](O)C(=O)O Amb25367304 [0,1,0,0,0,0|1,0,0]=2 1168 B9R0.42 COC(=O)C[C@H](O)C(N)=O Amb28120921 [0,1,0,0,0,0|2,0,0]=3 1169 B9R0.42 COC(=O)C[C@H](O)[C@H](C)O Amb28069717 [0,1,0,0,0,0|2,0,1]=4 1170 B9R0.42 COC(=O)NC(C)C(=O)O Amb6668789 [0,1,0,0,0,0|2,0,0]=3 1171 B9R0.42 COC(=O)N[C@@H](C)C(=O)O Amb24477985 [0,1,0,0,0,0|2,0,0]=3 1172 B9R0.42 COC(=O)N[C@H](C)C(=O)O Amb24381066 [0,1,0,0,0,0|2,0,0]=3 1173 B9R0.42 COC(=O)N[C@H](C)C(N)=O Amb27428453 [0,1,0,0,0,0|3,0,0]=4 1174 B9R0.42 COC(=O)SC(C)C(C)=O Amb27243977 [0,1,0,0,0,0|3,0,0]=4 1175 B9R0.42 COC(=O)\C=C(/C)C(=O)O Amb18644070 [0,1,0,0,0,0|1,0,2]=4 1176 B9R0.42 COC(=O)\C=C(/N)C(N)=O Amb5725948 [0,1,0,0,0,0|1,0,2]=4 1177 B9R0.42 COC(=O)\C=C(\N)C(N)=O Amb6607860 [0,1,0,0,0,0|1,0,2]=4 1178 B9R0.42 COC(=S)SC(C)C(=O)O Amb28458571 [0,1,0,0,0,0|2,1,0]=4 1179 B9R0.42 COC(C)CC(N)C(=O)O Amb25147752 [0,1,0,0,0,0|1,0,1]=3 1180 B9R0.42 COC(C)CC(N)C(N)=O Amb25349298 [0,1,0,0,0,0|2,0,1]=4 1181 B9R0.42 COC(C)CC(O)C(=O)O Amb33353368 [0,1,0,0,0,0|2,0,1]=4 1182 B9R0.42 COC(C)C[C@@H](N)C(=O)O Amb24412403 [0,1,0,0,0,0|1,0,1]=3 1183 B9R0.42 COC(C)C[C@H](N)C(=O)O Amb27801695 [0,1,0,0,0,0|1,0,1]=3 1184 B9R0.42 CSC(C)C[C@H](N)C(=O)O Amb28208334 [0,1,0,0,0,0|1,1,1]=4 1185 B9R0.42 CS[C@@H](C)C[C@@H](N)C(=O)O Amb27755570 [0,1,0,0,0,0|1,1,1]=4 1186 B9R0.42 C[C@@H](CO)C[C@@H](N)C(=O)O Amb27398331 [0,1,0,0,0,0|1,0,1]=3 1187 B9R0.42 C[C@@H](C[C@@H](O)CN)C(=O)O Amb27768864 [0,1,0,0,0,0|2,0,1]=4 1188 B9R0.42 C[C@@H](NC(=O)CCl)C(=O)O Amb10842258 [0,1,0,0,0,0|3,0,0]=4 1189 B9R0.42 C[C@H](CO)C[C@H](N)C(=O)O Amb27625117 [0,1,0,0,0,0|1,0,1]=3 1190 B9R0.42 C[C@H](C[C@@H](O)CN)C(=O)O Amb27169198 [0,1,0,0,0,0|2,0,1]=4 1191 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O Amb2781694 [0,1,0,0,0,0|3,0,0]=4 1192 B9R0.42 C[C@H](NC(=O)CN)C(=O)O Amb537542 [0,1,0,0,0,0|3,0,0]=4 1193 B9R0.42 C[C@H](NC(=O)CS)C(=O)O Amb27780474 [0,1,0,0,0,0|2,1,0]=4 1194 B9R0.42 C\C(=C/Cl)CC(N)C(=O)O Amb25934493 [0,1,0,0,0,0|2,0,0]=3 1195 B9R0.42 C\C(=C/Cl)CC(N)C(N)=O Amb27946722 [0,1,0,0,0,0|3,0,0]=4 1196 B9R0.42 C\C(=C/Cl)C[C@@H](N)C(=O)O Amb27168937 [0,1,0,0,0,0|2,0,0]=3 1197 B9R0.42 C\C(=C/Cl)C[C@H](N)C(=O)O Amb26888703 [0,1,0,0,0,0|2,0,0]=3 1198 B9R0.42 C\C(=N/C(=O)CO)C(=O)O Amb27426561 [0,1,0,0,0,0|2,0,1]=4 1199 B9R0.42 C\C=C(/C)C[C@H](N)C(=O)O Amb27827659 [0,1,0,0,0,0|2,0,0]=3 1200 B9R0.42 NC(=O)C(N)CC(O)CF Amb33308795 [0,1,0,0,0,0|2,0,1]=4 1201 B9R0.42 NC(=O)C(N)CC(O)CO Amb33066193 [0,1,0,0,0,0|1,0,2]=4 1202 B9R0.42 NC(CC(=O)CI)C(=O)O Amb27803464 [0,1,0,0,0,0|1,0,0]=2 1203 B9R0.42 NC(CC(=O)CO)C(=O)O Amb18644310 [0,1,0,0,0,0|0,0,0]=1 1204 B9R0.42 NC(CC(=O)NO)C(=O)O Amb22349932 [0,1,0,0,0,0|0,0,0]=1 1205 B9R0.42 NC(CC(F)CO)C(=O)O Amb27632459 [0,1,0,0,0,0|1,0,1]=3 1206 B9R0.42 NC(CC(O)C=O)C(=O)O Amb28126784 [0,1,0,0,0,0|0,0,1]=2 1207 B9R0.42 NC(CC(O)CF)C(=O)O Amb33065776 [0,1,0,0,0,0|1,0,1]=3 1208 B9R0.42 NC(CC(O)CO)C(=O)O Amb18644388 [0,1,0,0,0,0|0,0,2]=3 1209 B9R0.42 NC(CC(O)CO)C(=O)O Amb24117285 [0,1,0,0,0,0|0,0,2]=3 1210 B9R0.42 NC(C\C(Cl)=C\Cl)C(=O)O Amb27232854 [0,1,0,0,0,0|2,0,0]=3 1211 B9R0.42 NC(\C=C(\P)C=O)C(=O)O Amb25361040 [0,1,0,0,0,0|1,0,1]=3 1212 B9R0.42 NCC(F)C[C@H](N)C(=O)O Amb28126719 [0,1,0,0,0,0|2,0,1]=4 1213 B9R0.42 NCC(O)CC(N)C(=O)O Amb30988061 [0,1,0,0,0,0|1,0,1]=3 1214 B9R0.42 NCC(O)CC(O)C(=O)O Amb27170737 [0,1,0,0,0,0|2,0,1]=4 1215 B9R0.42 NC[C@H](O)CC(O)C(=O)O Amb27590744 [0,1,0,0,0,0|2,0,1]=4 1216 B9R0.42 NNC(=O)C[C@H](N)C(=O)O Amb24680907 [0,1,0,0,0,0|1,0,0]=2 1217 B9R0.42 N[C@@H](CC(=O)CCl)C(=O)O Amb27168692 [0,1,0,0,0,0|1,0,0]=2 1218 B9R0.42 N[C@@H](CC(=O)CI)C(=O)O Amb27248631 [0,1,0,0,0,0|1,0,0]=2 1219 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O Amb28050099 [0,1,0,0,0,0|0,0,0]=1 1220 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O Amb28320876 [0,1,0,0,0,0|0,0,0]=1 1221 B9R0.42 N[C@@H](CC(O)CCl)C(=O)O Amb27837835 [0,1,0,0,0,0|1,0,1]=3 1222 B9R0.42 N[C@@H](CC(O)CF)C(=O)O Amb33036578 [0,1,0,0,0,0|1,0,1]=3 1223 B9R0.42 N[C@@H](CC(O)CO)C(=O)O Amb25870815 [0,1,0,0,0,0|0,0,2]=3 1224 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O Amb17607759 [0,1,0,0,0,0|1,0,0]=2 1225 B9R0.42 N[C@H](CC(O)CF)C(=O)O Amb32796094 [0,1,0,0,0,0|1,0,1]=3 1226 B9R0.42 N[C@H](CC(O)CO)C(=O)O Amb33036156 [0,1,0,0,0,0|0,0,2]=3 1227 B9R0.42 N[C@H](CN(O)N=O)C(=O)O Amb27976802 [0,1,0,0,0,0|1,0,0]=2 1228 B9R0.42 N\C=C(/N)CC(N)C(=O)O Amb28250396 [0,1,0,0,0,0|2,0,0]=3 1229 B9R0.42 O=C(CBr)C[C@H](O)C(=O)O Amb27876238 [0,1,0,0,0,0|2,0,0]=3 1230 B9R0.42 O=C(CCl)NC(O)C(=O)O Amb27598875 [0,1,0,0,0,0|3,0,0]=4 1231 B9R0.42 O=C(O)C(O)C[C@H](O)CO Amb27984868 [0,1,0,0,0,0|1,0,2]=4 1232 B9R0.57 CC(C)(C)CC(N)C(=O)O Amb7172575 [0,1,0,0,0,0|2,0,1]=4 1233 B9R0.57 CC(C)(C)CC(N)C(=O)O Amb8385710 [0,1,0,0,0,0|2,0,1]=4 1234 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O Amb16184025 [0,1,0,0,0,0|2,0,1]=4 1235 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O Amb6295897 [0,1,0,0,0,0|2,0,1]=4 1236 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Amb28555620 [0,1,0,0,0,0|2,0,1]=4 1237 B9R0.57 CC(C)(F)CC(N)C(=O)O Amb26496047 [0,1,0,0,0,0|2,0,1]=4 1238 B9R0.57 CC(C)(F)C[C@@H](N)C(=O)O Amb24055873 [0,1,0,0,0,0|2,0,1]=4 1239 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O Amb26959500 [0,1,0,0,0,0|2,0,1]=4 1240 B9R0.57 CC(C)(O)CC(N)C(=O)O Amb18644326 [0,1,0,0,0,0|1,0,1]=3 1241 B9R0.57 CC(C)(O)CC(N)C(=O)[O-] Amb33109899 [0,1,0,0,0,0|1,0,2]=4 1242 B9R0.57 CC(C)(O)CC(N)C(N)=O Amb33065412 [0,1,0,0,0,0|2,0,1]=4 1243 B9R0.57 CC(C)(O)CC(O)C(=O)O Amb27953570 [0,1,0,0,0,0|2,0,1]=4 1244 B9R0.57 CC(C)(O)C[C@@H](N)C(=O)O Amb24479570 [0,1,0,0,0,0|1,0,1]=3 1245 B9R0.57 CC(C)(O)C[C@@H](O)C(=O)O Amb27254266 [0,1,0,0,0,0|2,0,1]=4 1246 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O Amb25992355 [0,1,0,0,0,0|1,0,1]=3 1247 B9R0.57 CC(C)(S)CC(N)C(=O)O Amb27984144 [0,1,0,0,0,0|1,1,1]=4 1248 B9R0.57 CC(CP(=O)(O)O)C(=O)O Amb27878703 [0,1,0,0,0,0|2,0,0]=3 1249 B9R0.57 CC(CP(C)(C)=O)C(=O)O Amb28050894 [0,1,0,0,0,0|3,0,0]=4 1250 B9R0.57 CC(CS(C)(=O)=O)C(=O)O Amb18971622 [0,1,0,0,0,0|2,0,1]=4 1251 B9R0.57 CC(CS(N)(=O)=O)C(=O)O Amb18563379 [0,1,0,0,0,0|2,0,1]=4 1252 B9R0.57 CC(F)(F)CC(N)C(=O)O Amb26866987 [0,1,0,0,0,0|2,0,1]=4 1253 B9R0.57 CC(F)(F)CC(N)C(=O)O Amb33483896 [0,1,0,0,0,0|2,0,1]=4 1254 B9R0.57 CC(F)(F)C[C@@H](N)C(=O)O Amb33309023 [0,1,0,0,0,0|2,0,1]=4 1255 B9R0.57 CC(F)(F)C[C@H](N)C(=O)O Amb26573683 [0,1,0,0,0,0|2,0,1]=4 1256 B9R0.57 CC(OP(=O)(O)O)C(=O)O Amb28458452 [0,1,0,0,0,0|3,0,0]=4 1257 B9R0.57 CP(=O)(O)CC(N)C(=O)O Amb27770381 [0,1,0,0,0,0|1,0,0]=2 1258 B9R0.57 CS(=O)(=O)CC(Cl)C(=O)O Amb27257814 [0,1,0,0,0,0|2,0,1]=4 1259 B9R0.57 CS(=O)(=O)CC(N)C(=O)O Amb27983621 [0,1,0,0,0,0|1,0,1]=3 1260 B9R0.57 CS(=O)(=O)CC(N)C(=O)O Amb32753509 [0,1,0,0,0,0|1,0,1]=3 1261 B9R0.57 CS(=O)(=O)CC(N)C(N)=O Amb27961405 [0,1,0,0,0,0|2,0,1]=4 1262 B9R0.57 CS(=O)(=O)CC(O)C(=O)O Amb24398186 [0,1,0,0,0,0|2,0,1]=4 1263 B9R0.57 CS(=O)(=O)C[C@@H](N)C(=O)O Amb27831327 [0,1,0,0,0,0|1,0,1]=3 1264 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O Amb27231797 [0,1,0,0,0,0|1,0,1]=3 1265 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O Amb32683294 [0,1,0,0,0,0|1,0,1]=3 1266 B9R0.57 C[C@@H](O)[C@H](N)CS(=O)(=O)O Amb27483111 [0,1,0,0,0,0|2,0,1]=4 1267 B9R0.57 C[Si](C)(C)CC(N)C(=O)O Amb26361043 [0,1,0,0,0,0|2,1,0]=4 1268 B9R0.57 C[Si](C)(C)C[C@@H](N)C(=O)O Amb27658975 [0,1,0,0,0,0|2,1,0]=4 1269 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O Amb24482244 [0,1,0,0,0,0|2,1,0]=4 1270 B9R0.57 C[Si](C)(O)C[C@H](N)C(=O)O Amb27408998 [0,1,0,0,0,0|1,1,0]=3 1271 B9R0.57 NC(=O)C(N)CS(N)(=O)=O Amb18126470 [0,1,0,0,0,0|2,0,1]=4 1272 B9R0.57 NC(CC(F)(F)Cl)C(=O)O Amb27477823 [0,1,0,0,0,0|2,0,1]=4 1273 B9R0.57 NC(CC(F)(F)F)C(=O)O Amb10603542 [0,1,0,0,0,0|2,0,1]=4 1274 B9R0.57 NC(CC(F)(F)F)C(=O)O Amb2684546 [0,1,0,0,0,0|2,0,1]=4 1275 B9R0.57 NC(CP(=O)(O)O)C(=O)O Amb542762 [0,1,0,0,0,0|1,0,0]=2 1276 B9R0.57 NC(CP(O)(O)=S)C(=O)O Amb27232821 [0,1,0,0,0,0|1,0,1]=3 1277 B9R0.57 NC(CS(=O)(=O)Cl)C(=O)O Amb28367339 [0,1,0,0,0,0|1,0,1]=3 1278 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Amb2698240 [0,1,0,0,0,0|1,0,0]=2 1279 B9R0.57 NC(CS(=O)(=O)S)C(=O)O Amb27982339 [0,1,0,0,0,0|1,0,1]=3 1280 B9R0.57 N[C@@H](CC(Cl)(Cl)Cl)C(=O)O Amb25967143 [0,1,0,0,0,0|2,0,1]=4 1281 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O Amb19889287 [0,1,0,0,0,0|2,0,1]=4 1282 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O Amb2719731 [0,1,0,0,0,0|1,0,0]=2 1283 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb17942867 [0,1,0,0,0,0|1,0,0]=2 1284 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb3940873 [0,1,0,0,0,0|1,0,0]=2 1285 B9R0.57 N[C@@H](CS(N)(=O)=O)C(=O)O Amb26342340 [0,1,0,0,0,0|1,0,1]=3 1286 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O Amb19889286 [0,1,0,0,0,0|2,0,1]=4 1287 B9R0.57 N[C@H](CP(=O)(O)O)C(=O)O Amb8515685 [0,1,0,0,0,0|1,0,0]=2 1288 B9R0.57 O=C(O)C(=O)CS(=O)(=O)O Amb26352119 [0,1,0,0,0,0|2,0,1]=4 1289 B9R0.57 O=C(O)C(O)CP(=O)(O)O Amb27166079 [0,1,0,0,0,0|2,0,0]=3 1290 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Amb20247567 [0,1,0,0,0,0|2,0,0]=3 1291 B9R0.79 C=C(C)C(C)C(C)C(=O)O Amb28042819 [0,1,0,0,0,0|3,0,0]=4 1292 B9R0.79 C=C(C)C(N)C(C)C(=O)O Amb33036349 [0,1,0,0,0,0|2,0,0]=3 1293 B9R0.79 C=C(C)C(O)C(C)C(=O)O Amb18644101 [0,1,0,0,0,0|3,0,0]=4 1294 B9R0.79 C=C(C)C(O)C(N)C(=O)O Amb33199606 [0,1,0,0,0,0|2,0,0]=3 1295 B9R0.79 C=C(C)[C@@H](C)[C@@H](C)C(=O)O Amb28050111 [0,1,0,0,0,0|3,0,0]=4 1296 B9R0.79 C=C(C)[C@@H](O)[C@@H](C)C(=O)O Amb28283987 [0,1,0,0,0,0|3,0,0]=4 1297 B9R0.79 CC(=O)C(C)C(C)C(C)=O Amb4016940 [0,1,0,0,0,0|3,0,0]=4 1298 B9R0.79 CC(=O)C(C)C(N)C(=O)O Amb18202116 [0,1,0,0,0,0|1,0,0]=2 1299 B9R0.79 CC(=O)C(C)C(N)C(N)=O Amb27613013 [0,1,0,0,0,0|2,0,0]=3 1300 B9R0.79 CC(=O)C(Cl)C(=O)C(=O)O Amb27600115 [0,1,0,0,0,0|2,0,1]=4 1301 B9R0.79 CC(=O)C(O)C(O)C(=O)O Amb25292189 [0,1,0,0,0,0|2,0,0]=3 1302 B9R0.79 CC(=O)C(O)C(O)C(C)=O Amb17593650 [0,1,0,0,0,0|3,0,0]=4 1303 B9R0.79 CC(=O)N(Cl)[C@@H](C)C(=O)O Amb28458454 [0,1,0,0,0,0|3,0,0]=4 1304 B9R0.79 CC(=O)[C@@H](C)[C@@H](O)C(=O)O Amb27661780 [0,1,0,0,0,0|2,0,0]=3 1305 B9R0.79 CC(=O)[C@@H](C)[C@H](O)C(=O)O Amb28050113 [0,1,0,0,0,0|2,0,0]=3 1306 B9R0.79 CC(=O)[C@H](C)[C@@H](C)C(C)=O Amb28202186 [0,1,0,0,0,0|3,0,0]=4 1307 B9R0.79 CC(=O)[C@H](C)[C@H](N)C(=O)O Amb27424983 [0,1,0,0,0,0|1,0,0]=2 1308 B9R0.79 CC(=S)[C@H](C)[C@H](N)C(=O)O Amb26642807 [0,1,0,0,0,0|1,1,0]=3 1309 B9R0.79 CC(C(=O)Cl)C(C)C(=O)Cl Amb22347385 [0,1,0,0,0,0|3,0,0]=4 1310 B9R0.79 CC(C(=O)O)C(Br)C(=O)O Amb2612973 [0,1,0,0,0,0|1,0,0]=2 1311 B9R0.79 CC(C(=O)O)C(C)C(=O)O Amb8513150 [0,1,0,0,0,0|1,0,0]=2 1312 B9R0.79 CC(C(=O)O)C(N)C(=O)O Amb2099482 [0,1,0,0,0,0|0,0,0]=1 1313 B9R0.79 CC(C(=O)O)C(O)C(=O)O Amb17593680 [0,1,0,0,0,0|1,0,0]=2 1314 B9R0.79 CC(C(F)F)C(N)C(=O)O Amb4442353 [0,1,0,0,0,0|2,0,1]=4 1315 B9R0.79 CC(C(F)F)[C@H](N)C(=O)O Amb27424746 [0,1,0,0,0,0|2,0,1]=4 1316 B9R0.79 CC(C(N)=O)C(C)C(N)=O Amb28248514 [0,1,0,0,0,0|3,0,0]=4 1317 B9R0.79 CC(C(N)C(=O)O)N(C)C Amb30020664 [0,1,0,0,0,0|3,0,0]=4 1318 B9R0.79 CC(C)=C(C)C(N)C(=O)O Amb33330058 [0,1,0,0,0,0|2,0,1]=4 1319 B9R0.79 CC(C)=C(C)C(N)C(=O)O Amb33484307 [0,1,0,0,0,0|2,0,1]=4 1320 B9R0.79 CC(C)C(C)C(N)C(=O)O Amb26965499 [0,1,0,0,0,0|2,0,1]=4 1321 B9R0.79 CC(C)C(C)[C@@H](N)C(=O)O Amb28119442 [0,1,0,0,0,0|2,0,1]=4 1322 B9R0.79 CC(C)C(C)[C@H](N)C(=O)O Amb27951299 [0,1,0,0,0,0|2,0,1]=4 1323 B9R0.79 CC(C)C(F)C(N)C(=O)O Amb28071157 [0,1,0,0,0,0|2,0,1]=4 1324 B9R0.79 CC(C)C(F)[C@@H](N)C(=O)O Amb27248487 [0,1,0,0,0,0|2,0,1]=4 1325 B9R0.79 CC(C)C(F)[C@H](N)C(=O)O Amb25863595 [0,1,0,0,0,0|2,0,1]=4 1326 B9R0.79 CC(C)C(F)[C@H](N)C(=O)O Amb33328671 [0,1,0,0,0,0|2,0,1]=4 1327 B9R0.79 CC(C)C(N)C(C)C(=O)O Amb28121227 [0,1,0,0,0,0|2,0,1]=4 1328 B9R0.79 CC(C)C(N)C(F)C(=O)O Amb28385013 [0,1,0,0,0,0|2,0,1]=4 1329 B9R0.79 CC(C)C(N)C(O)C(=O)O Amb27615047 [0,1,0,0,0,0|2,0,1]=4 1330 B9R0.79 CC(C)C(O)C(N)C(=O)O Amb23399656 [0,1,0,0,0,0|2,0,1]=4 1331 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O Amb24509492 [0,1,0,0,0,0|2,0,1]=4 1332 B9R0.79 CC(C)C(S)C(N)C(=O)O Amb28076641 [0,1,0,0,0,0|2,0,1]=4 1333 B9R0.79 CC(C)[C@@H](Cl)[C@@H](N)C(=O)O Amb27409092 [0,1,0,0,0,0|2,0,1]=4 1334 B9R0.79 CC(C)[C@H](Cl)[C@@H](N)C(=O)O Amb27796326 [0,1,0,0,0,0|2,0,1]=4 1335 B9R0.79 CC(C)[C@H](N)[C@H](C)C(=O)O Amb27216704 [0,1,0,0,0,0|2,0,1]=4 1336 B9R0.79 CC(C)[C@H](N)[C@H](O)C(=O)O Amb25147282 [0,1,0,0,0,0|2,0,1]=4 1337 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Amb10807407 [0,1,0,0,0,0|2,0,1]=4 1338 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O Amb26333625 [0,1,0,0,0,0|2,0,1]=4 1339 B9R0.79 CC(Cl)C(C)C(N)C(=O)O Amb27838066 [0,1,0,0,0,0|2,0,1]=4 1340 B9R0.79 CC(F)C(C)C(N)C(=O)O Amb28041913 [0,1,0,0,0,0|2,0,1]=4 1341 B9R0.79 CC(O)C(C)C(C)C(=O)O Amb28059349 [0,1,0,0,0,0|2,0,1]=4 1342 B9R0.79 CC(O)C(C)C(N)C(=O)O Amb21953714 [0,1,0,0,0,0|1,0,1]=3 1343 B9R0.79 CC(O)C(C)C(N)C(N)=O Amb33036679 [0,1,0,0,0,0|2,0,1]=4 1344 B9R0.79 CC(O)C(C)[C@@H](N)C(=O)O Amb22800202 [0,1,0,0,0,0|1,0,1]=3 1345 B9R0.79 CC(O)C(C)[C@H](N)C(=O)O Amb27390194 [0,1,0,0,0,0|1,0,1]=3 1346 B9R0.79 CC(O)C(O)C(N)C(=O)O Amb27210841 [0,1,0,0,0,0|1,0,1]=3 1347 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(=O)O Amb33524291 [0,1,0,0,0,0|1,0,1]=3 1348 B9R0.79 CC(S)C(C)C(N)C(=O)O Amb27241739 [0,1,0,0,0,0|1,1,1]=4 1349 B9R0.79 C[C@@H](C(=O)O)C(N)C(=O)O Amb27877897 [0,1,0,0,0,0|0,0,0]=1 1350 B9R0.79 C[C@@H](C(=O)O)[C@@H](N)C(=O)O Amb27170727 [0,1,0,0,0,0|0,0,0]=1 1351 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O Amb25324829 [0,1,0,0,0,0|0,0,0]=1 1352 B9R0.79 C[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27243908 [0,1,0,0,0,0|1,0,0]=2 1353 B9R0.79 C[C@@H](O)[C@H](C)[C@@H](N)C(=O)O Amb27252085 [0,1,0,0,0,0|1,0,1]=3 1354 B9R0.79 C[C@@H](O)[C@H](C)[C@H](N)C(=O)O Amb17615448 [0,1,0,0,0,0|1,0,1]=3 1355 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O Amb22801175 [0,1,0,0,0,0|1,0,0]=2 1356 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(N)=O Amb27771245 [0,1,0,0,0,0|2,0,0]=3 1357 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb27783086 [0,1,0,0,0,0|0,0,0]=1 1358 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb31031234 [0,1,0,0,0,0|0,0,0]=1 1359 B9R0.79 C[C@H](C(=O)O)[C@H](Br)C(=O)O Amb27463297 [0,1,0,0,0,0|1,0,0]=2 1360 B9R0.79 C[C@H](C(=O)O)[C@H](C)C(=O)O Amb27460990 [0,1,0,0,0,0|1,0,0]=2 1361 B9R0.79 C[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27955233 [0,1,0,0,0,0|1,0,0]=2 1362 B9R0.79 C[C@H](C(N)=O)[C@H](C)C(N)=O Amb27220901 [0,1,0,0,0,0|3,0,0]=4 1363 B9R0.79 C[C@H](O)[C@@H](C)[C@@H](N)C(=O)O Amb27655509 [0,1,0,0,0,0|1,0,1]=3 1364 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O Amb27595659 [0,1,0,0,0,0|1,0,1]=3 1365 B9R0.79 C[C@H](O)[C@H](O)[C@@H](O)C(=O)O Amb27592166 [0,1,0,0,0,0|2,0,1]=4 1366 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O Amb25693814 [0,1,0,0,0,0|1,0,1]=3 1367 B9R0.79 C\C(C(=O)O)=C(/Cl)C(=O)O Amb27858839 [0,1,0,0,0,0|1,0,2]=4 1368 B9R0.79 C\C(C(=O)O)=C(\C)C(=O)O Amb24712245 [0,1,0,0,0,0|1,0,2]=4 1369 B9R0.79 C\C(C(=O)O)=C(\O)C(=O)O Amb27867258 [0,1,0,0,0,0|1,0,2]=4 1370 B9R0.79 NC(=O)C(N)C(N)C(=O)O Amb27424997 [0,1,0,0,0,0|1,0,0]=2 1371 B9R0.79 NC(=O)C(O)C(O)C(=O)O Amb24112928 [0,1,0,0,0,0|2,0,0]=3 1372 B9R0.79 NC(=O)C(O)C(O)C(N)=O Amb2842263 [0,1,0,0,0,0|3,0,0]=4 1373 B9R0.79 NC(=O)[C@@H](N)[C@@H](O)C(N)=O Amb27259156 [0,1,0,0,0,0|2,0,0]=3 1374 B9R0.79 NC(=O)[C@@H](N)[C@H](O)C(N)=O Amb28126957 [0,1,0,0,0,0|2,0,0]=3 1375 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O Amb24763774 [0,1,0,0,0,0|1,0,0]=2 1376 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(=O)O Amb28341817 [0,1,0,0,0,0|2,0,0]=3 1377 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(N)=O Amb24385859 [0,1,0,0,0,0|3,0,0]=4 1378 B9R0.79 NC(C(=O)O)C(F)C(=O)O Amb24061061 [0,1,0,0,0,0|0,0,0]=1 1379 B9R0.79 NC(C(=O)O)C(N)C(=O)O Amb24117894 [0,1,0,0,0,0|0,0,0]=1 1380 B9R0.79 NC(C(=O)O)C(O)C(=O)O Amb9871461 [0,1,0,0,0,0|0,0,0]=1 1381 B9R0.79 NC(C(=O)O)C(O)C(Cl)Cl Amb27837948 [0,1,0,0,0,0|2,0,1]=4 1382 B9R0.79 NC(C(=O)O)C(O)C(F)F Amb19148422 [0,1,0,0,0,0|2,0,1]=4 1383 B9R0.79 N[C@@H](C(=O)O)C(F)C(=O)O Amb27494927 [0,1,0,0,0,0|0,0,0]=1 1384 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O Amb17942870 [0,1,0,0,0,0|0,0,0]=1 1385 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(Cl)Cl Amb27792191 [0,1,0,0,0,0|2,0,1]=4 1386 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27470435 [0,1,0,0,0,0|0,0,0]=1 1387 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(F)F Amb25940794 [0,1,0,0,0,0|2,0,1]=4 1388 B9R0.79 N[C@H](C(=O)O)C(F)C(=O)O Amb27796116 [0,1,0,0,0,0|0,0,0]=1 1389 B9R0.79 N[C@H](C(=O)O)[C@@H](F)C(=O)O Amb27865514 [0,1,0,0,0,0|0,0,0]=1 1390 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O Amb10072362 [0,1,0,0,0,0|0,0,0]=1 1391 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24087715 [0,1,0,0,0,0|0,0,0]=1 1392 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24117974 [0,1,0,0,0,0|0,0,0]=1 1393 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(F)F Amb26336091 [0,1,0,0,0,0|2,0,1]=4 1394 B9R0.79 N[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27796563 [0,1,0,0,0,0|0,0,0]=1 1395 B9R0.79 N[C@H](C(=O)O)[C@H](F)C(=O)O Amb26945975 [0,1,0,0,0,0|0,0,0]=1 1396 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O Amb27173533 [0,1,0,0,0,0|0,0,0]=1 1397 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb17615140 [0,1,0,0,0,0|0,0,0]=1 1398 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb33714683 [0,1,0,0,0,0|0,0,0]=1 1399 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O Amb2686761 [0,1,0,0,0,0|1,0,0]=2 1400 B9R0.79 O=C(O)C(Cl)C(Cl)C(=O)O Amb26345874 [0,1,0,0,0,0|1,0,0]=2 1401 B9R0.79 O=C(O)C(F)C(Cl)C(=O)O Amb27875188 [0,1,0,0,0,0|1,0,0]=2 1402 B9R0.79 O=C(O)C(O)C(Cl)C(=O)O Amb17594225 [0,1,0,0,0,0|1,0,0]=2 1403 B9R0.79 O=C(O)C(O)C(F)C(=O)O Amb24479232 [0,1,0,0,0,0|1,0,0]=2 1404 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb24668916 [0,1,0,0,0,0|1,0,0]=2 1405 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb6608787 [0,1,0,0,0,0|1,0,0]=2 1406 B9R0.79 O=C(O)C(O)C(O)C(=O)S Amb28050895 [0,1,0,0,0,0|1,1,0]=3 1407 B9R0.79 O=C(O)C(S)C(S)C(=O)O Amb8627761 [0,1,0,0,0,0|1,0,0]=2 1408 B9R0.79 O=C(O)[C@@H](Cl)[C@H](O)C(=O)O Amb27845392 [0,1,0,0,0,0|1,0,0]=2 1409 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O Amb22230832 [0,1,0,0,0,0|1,0,0]=2 1410 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb17616192 [0,1,0,0,0,0|1,0,0]=2 1411 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb19884028 [0,1,0,0,0,0|1,0,0]=2 1412 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22750609 [0,1,0,0,0,0|1,0,0]=2 1413 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22756774 [0,1,0,0,0,0|1,0,0]=2 1414 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb34915014 [0,1,0,0,0,0|1,0,0]=2 1415 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb5722339 [0,1,0,0,0,0|1,0,0]=2 1416 B9R0.79 O=C(O)[C@@H](S)[C@H](S)C(=O)O Amb28195042 [0,1,0,0,0,0|1,0,0]=2 1417 B9R0.79 O=C(O)[C@H](Br)[C@H](F)C(=O)O Amb28050029 [0,1,0,0,0,0|1,0,0]=2 1418 B9R0.79 O=C(O)[C@H](F)[C@H](F)C(=O)O Amb28365940 [0,1,0,0,0,0|1,0,0]=2 1419 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb19884026 [0,1,0,0,0,0|1,0,0]=2 1420 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20240604 [0,1,0,0,0,0|1,0,0]=2 1421 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20670711 [0,1,0,0,0,0|1,0,0]=2 1422 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb34915016 [0,1,0,0,0,0|1,0,0]=2 1423 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb8628435 [0,1,0,0,0,0|1,0,0]=2 1424 B9R0.79 O=C(O)[C@H](O)[C@H](Br)C(=O)O Amb28252354 [0,1,0,0,0,0|1,0,0]=2 1425 B9R0.79 O=C(O)[C@H](O)[C@H](Cl)C(=O)O Amb27477747 [0,1,0,0,0,0|1,0,0]=2 1426 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Amb8393135 [0,1,0,0,0,0|1,0,0]=2 1427 B9R0.79 O=C(O)\C(Br)=C(/Br)C(=O)O Amb27465194 [0,1,0,0,0,0|1,0,2]=4 1428 B9R0.79 O=C(O)\C(Br)=C(\Br)C(=O)O Amb22347940 [0,1,0,0,0,0|1,0,2]=4 1429 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O Amb18511532 [0,1,0,0,0,0|1,0,2]=4 1430 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O Amb33802774 [0,1,0,0,0,0|1,0,2]=4 1431 B9R0.79 O=C(O)\C(O)=C(\O)C(=O)O Amb17593679 [0,1,0,0,0,0|1,0,2]=4 1432 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb20246422 [0,1,0,0,0,0|1,0,1]=3 1433 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb8517447 [0,1,0,0,0,0|1,0,1]=3 1434 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] Amb19959974 [0,1,0,0,0,0|1,0,2]=4 1435 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] Amb8514450 [0,1,0,0,0,0|1,0,2]=4 1436 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)[O-] Amb32414666 [0,1,0,0,0,0|1,0,2]=4 1437 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O Amb34915846 [0,1,0,0,0,0|1,0,1]=3 1438 B9R1.35 C=C(Br)C1COC(=O)C1 Amb25707934 [0,0,0,1,0,0|3,0,0]=4 1439 B9R1.35 C=C1CCC(C(=O)O)C1 Amb28369274 [0,0,0,1,0,0|3,0,0]=4 1440 B9R1.35 C=C1CNC(C(N)=O)C1 Amb27640101 [0,0,0,1,0,0|3,0,0]=4 1441 B9R1.35 C=C1CN[C@@H](C(=O)O)C1 Amb27795857 [0,0,0,1,0,0|2,0,0]=3 1442 B9R1.35 C=C1CN[C@H](C(=O)O)C1 Amb27400250 [0,0,0,1,0,0|2,0,0]=3 1443 B9R1.35 CC(=O)C1CCC(=O)C1 Amb24423910 [0,0,0,1,0,0|3,0,0]=4 1444 B9R1.35 CC(=O)C1CNC(=O)C1 Amb27488585 [0,0,0,1,0,0|3,0,0]=4 1445 B9R1.35 CC(=O)[C@@H]1CCC(=O)C1 Amb24407171 [0,0,0,1,0,0|3,0,0]=4 1446 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 Amb26590768 [0,0,0,1,0,0|3,0,0]=4 1447 B9R1.35 CC(=O)[C@H]1COC(=O)C1 Amb18832647 [0,0,0,1,0,0|2,0,0]=3 1448 B9R1.35 CC(O)C1CC(=O)NN1 Amb28285281 [0,0,0,1,0,0|2,0,1]=4 1449 B9R1.35 CC1=CC(C(=O)O)NC1 Amb27751727 [0,0,0,1,0,0|2,0,1]=4 1450 B9R1.35 CC1=NC(C(=O)O)CO1 Amb20621597 [0,0,0,1,0,0|3,0,0]=4 1451 B9R1.35 CC1=NOC(C(=O)O)C1 Amb7088977 [0,0,0,1,0,0|3,0,0]=4 1452 B9R1.35 CC1=NO[C@H](C(=O)O)C1 Amb25189709 [0,0,0,1,0,0|3,0,0]=4 1453 B9R1.35 CC1CC(C(=O)O)CO1 Amb25922998 [0,0,0,1,0,0|2,0,1]=4 1454 B9R1.35 CC1CN[C@H](C(=O)O)C1 Amb33756822 [0,0,0,1,0,0|2,0,1]=4 1455 B9R1.35 CC1CN[C@H](C(=O)O)C1 Amb8386516 [0,0,0,1,0,0|2,0,1]=4 1456 B9R1.35 C[C@@H](O)[C@@H]1CC(=O)NN1 Amb27632305 [0,0,0,1,0,0|2,0,1]=4 1457 B9R1.35 C[C@@H](O)[C@H]1CC(=O)NN1 Amb27422060 [0,0,0,1,0,0|2,0,1]=4 1458 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 Amb19888348 [0,0,0,1,0,0|2,0,1]=4 1459 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 Amb33812626 [0,0,0,1,0,0|2,0,1]=4 1460 B9R1.35 C[C@@H]1C[C@H](C(=O)O)CO1 Amb27961253 [0,0,0,1,0,0|2,0,1]=4 1461 B9R1.35 C[C@H](O)[C@H]1CC(=O)NN1 Amb27789842 [0,0,0,1,0,0|2,0,1]=4 1462 B9R1.35 C[C@H](O)[C@H]1COC(=O)C1 Amb27980502 [0,0,0,1,0,0|2,0,1]=4 1463 B9R1.35 C[C@H]1CN[C@@H](C(=O)O)C1 Amb19887682 [0,0,0,1,0,0|2,0,1]=4 1464 B9R1.35 C[C@H]1CN[C@@H](C(=O)O)C1 Amb23439040 [0,0,0,1,0,0|2,0,1]=4 1465 B9R1.35 N=C1OCC(C(=O)O)S1 Amb27954988 [0,0,0,1,0,0|3,0,0]=4 1466 B9R1.35 NC(=O)C1=NC(=O)ON1 Amb25056607 [0,0,0,1,0,0|2,0,1]=4 1467 B9R1.35 NC(=O)C1CC(O)CN1 Amb1152420 [0,0,0,1,0,0|2,0,1]=4 1468 B9R1.35 NC(=O)C1CC(O)CN1 Amb32668520 [0,0,0,1,0,0|2,0,1]=4 1469 B9R1.35 NC(=O)C1CNC(=O)C1 Amb1803351 [0,0,0,1,0,0|3,0,0]=4 1470 B9R1.35 NC(=O)C1CSC(=O)C1 Amb27837681 [0,0,0,1,0,0|2,1,0]=4 1471 B9R1.35 NC(=O)[C@@H]1CC(O)CN1 Amb28054059 [0,0,0,1,0,0|2,0,1]=4 1472 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 Amb24061354 [0,0,0,1,0,0|2,0,1]=4 1473 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 Amb28985696 [0,0,0,1,0,0|2,0,1]=4 1474 B9R1.35 NC(=O)[C@@H]1C[C@H](O)CN1 Amb27476480 [0,0,0,1,0,0|2,0,1]=4 1475 B9R1.35 NC(=O)[C@H]1C[C@@H](O)CN1 Amb27628841 [0,0,0,1,0,0|2,0,1]=4 1476 B9R1.35 NC(=O)[C@H]1C[C@H](O)CN1 Amb24586279 [0,0,0,1,0,0|2,0,1]=4 1477 B9R1.35 NC1CN[C@H](C(=O)O)C1 Amb28145911 [0,0,0,1,0,0|2,0,1]=4 1478 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 Amb19515889 [0,0,0,1,0,0|2,0,1]=4 1479 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 Amb25992752 [0,0,0,1,0,0|2,0,1]=4 1480 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 Amb10070446 [0,0,0,1,0,0|2,0,1]=4 1481 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 Amb10603136 [0,0,0,1,0,0|2,0,1]=4 1482 B9R1.35 N[C@H]1CN[C@@H](C(=O)O)C1 Amb27255323 [0,0,0,1,0,0|2,0,1]=4 1483 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 Amb10070445 [0,0,0,1,0,0|2,0,1]=4 1484 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 Amb10603131 [0,0,0,1,0,0|2,0,1]=4 1485 B9R1.35 O=C(O)C1CC(Br)=NO1 Amb26852251 [0,0,0,1,0,0|3,0,0]=4 1486 B9R1.35 O=C(O)C1CC(Cl)CN1 Amb28436107 [0,0,0,1,0,0|2,0,1]=4 1487 B9R1.35 O=C(O)C1CC(F)CN1 Amb10608925 [0,0,0,1,0,0|2,0,1]=4 1488 B9R1.35 O=C(O)C1CC(I)CN1 Amb27467588 [0,0,0,1,0,0|2,0,1]=4 1489 B9R1.35 O=C(O)C1CC(O)CN1 Amb32666298 [0,0,0,1,0,0|1,0,1]=3 1490 B9R1.35 O=C(O)C1CC(O)CN1 Amb33481348 [0,0,0,1,0,0|1,0,1]=3 1491 B9R1.35 O=C(O)C1CC(O)CN1 Amb9702801 [0,0,0,1,0,0|1,0,1]=3 1492 B9R1.35 O=C(O)C1CC(O)CO1 Amb18642869 [0,0,0,1,0,0|2,0,1]=4 1493 B9R1.35 O=C(O)C1CCC(O)C1 Amb21963572 [0,0,0,1,0,0|2,0,1]=4 1494 B9R1.35 O=C(O)C1CSS(=O)C1 Amb27165800 [0,0,0,1,0,0|2,1,0]=4 1495 B9R1.35 O=C(O)C1C[C@H](O)CN1 Amb34913473 [0,0,0,1,0,0|1,0,1]=3 1496 B9R1.35 O=C(O)[C@@H]1CC(O)CN1 Amb25743296 [0,0,0,1,0,0|1,0,1]=3 1497 B9R1.35 O=C(O)[C@@H]1CC(S)CN1 Amb28430216 [0,0,0,1,0,0|1,1,1]=4 1498 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 Amb22746558 [0,0,0,1,0,0|2,0,1]=4 1499 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 Amb27784295 [0,0,0,1,0,0|2,0,1]=4 1500 B9R1.35 O=C(O)[C@@H]1C[C@@H](Br)CN1 Amb10603132 [0,0,0,1,0,0|2,0,1]=4 1501 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 Amb16232298 [0,0,0,1,0,0|2,0,1]=4 1502 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 Amb8386381 [0,0,0,1,0,0|2,0,1]=4 1503 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)C=N1 Amb27215307 [0,0,0,1,0,0|1,0,2]=4 1504 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 Amb1994991 [0,0,0,1,0,0|1,0,1]=3 1505 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CO1 Amb28287549 [0,0,0,1,0,0|2,0,1]=4 1506 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 Amb22831348 [0,0,0,1,0,0|1,1,1]=4 1507 B9R1.35 O=C(O)[C@@H]1C[C@H](Br)CN1 Amb10603137 [0,0,0,1,0,0|2,0,1]=4 1508 B9R1.35 O=C(O)[C@@H]1C[C@H](Cl)CN1 Amb27630657 [0,0,0,1,0,0|2,0,1]=4 1509 B9R1.35 O=C(O)[C@@H]1C[C@H](Cl)CN1 Amb35749342 [0,0,0,1,0,0|2,0,1]=4 1510 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 Amb10603139 [0,0,0,1,0,0|2,0,1]=4 1511 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 Amb22757085 [0,0,0,1,0,0|2,0,1]=4 1512 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 Amb22748218 [0,0,0,1,0,0|1,0,1]=3 1513 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 Amb8384483 [0,0,0,1,0,0|1,0,1]=3 1514 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 Amb8629987 [0,0,0,1,0,0|1,0,1]=3 1515 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 Amb27783148 [0,0,0,1,0,0|1,1,1]=4 1516 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 Amb28994765 [0,0,0,1,0,0|1,1,1]=4 1517 B9R1.35 O=C(O)[C@H]1CC(F)CN1 Amb27447262 [0,0,0,1,0,0|2,0,1]=4 1518 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 Amb26960428 [0,0,0,1,0,0|2,0,1]=4 1519 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 Amb10839999 [0,0,0,1,0,0|2,0,1]=4 1520 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 Amb33726117 [0,0,0,1,0,0|2,0,1]=4 1521 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 Amb5718663 [0,0,0,1,0,0|1,0,1]=3 1522 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 Amb5719209 [0,0,0,1,0,0|1,0,1]=3 1523 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 Amb10067741 [0,0,0,1,0,0|2,0,1]=4 1524 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 Amb28989995 [0,0,0,1,0,0|2,0,1]=4 1525 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 Amb16230723 [0,0,0,1,0,0|1,0,1]=3 1526 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 Amb8628928 [0,0,0,1,0,0|1,0,1]=3 1527 B9R1.35 O=C1C=C(C(=O)O)NN1 Amb18944048 [0,0,0,1,0,0|1,0,2]=4 1528 B9R1.35 O=C1C=CC(C(=O)O)C1 Amb26002884 [0,0,0,1,0,0|2,0,0]=3 1529 B9R1.35 O=C1C=CC(C(=O)O)N1 Amb27775192 [0,0,0,1,0,0|3,0,0]=4 1530 B9R1.35 O=C1CC(C(=O)O)=CN1 Amb18832707 [0,0,0,1,0,0|2,0,1]=4 1531 B9R1.35 O=C1CC(C(=O)O)=CO1 Amb3499387 [0,0,0,1,0,0|1,0,1]=3 1532 B9R1.35 O=C1CC(C(=O)O)=NN1 Amb18278720 [0,0,0,1,0,0|1,0,2]=4 1533 B9R1.35 O=C1CC(C(=O)O)CN1 Amb33545000 [0,0,0,1,0,0|2,0,0]=3 1534 B9R1.35 O=C1CC(C(=O)O)CO1 Amb22642307 [0,0,0,1,0,0|1,0,0]=2 1535 B9R1.35 O=C1CC(C(=O)O)CS1 Amb10073724 [0,0,0,1,0,0|1,1,0]=3 1536 B9R1.35 O=C1CC(C(=O)O)NN1 Amb18642739 [0,0,0,1,0,0|1,0,0]=2 1537 B9R1.35 O=C1CCC(C(=O)Cl)C1 Amb25282784 [0,0,0,1,0,0|3,0,0]=4 1538 B9R1.35 O=C1CCC(C(=O)O)C1 Amb2695400 [0,0,0,1,0,0|2,0,0]=3 1539 B9R1.35 O=C1CCC(C(=O)O)N1 Amb9703102 [0,0,0,1,0,0|3,0,0]=4 1540 B9R1.35 O=C1CCC(C(=O)O)O1 Amb20623076 [0,0,0,1,0,0|3,0,0]=4 1541 B9R1.35 O=C1CCC(C(=O)O)S1 Amb23439315 [0,0,0,1,0,0|3,0,0]=4 1542 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Amb27254141 [0,0,0,1,0,0|2,0,0]=3 1543 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb1995036 [0,0,0,1,0,0|3,0,0]=4 1544 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb24099403 [0,0,0,1,0,0|3,0,0]=4 1545 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 Amb2722887 [0,0,0,1,0,0|3,0,0]=4 1546 B9R1.35 O=C1CC[C@H](C(=O)O)C1 Amb22746923 [0,0,0,1,0,0|2,0,0]=3 1547 B9R1.35 O=C1CC[C@H](C(=O)O)N1 Amb2694994 [0,0,0,1,0,0|3,0,0]=4 1548 B9R1.35 O=C1CC[C@H](C(=O)O)O1 Amb2720513 [0,0,0,1,0,0|3,0,0]=4 1549 B9R1.35 O=C1CNC(C(=O)O)C1 Amb30625211 [0,0,0,1,0,0|1,0,0]=2 1550 B9R1.35 O=C1CNC(C(=O)O)C1 Amb8386094 [0,0,0,1,0,0|1,0,0]=2 1551 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb22747440 [0,0,0,1,0,0|1,0,0]=2 1552 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb8628977 [0,0,0,1,0,0|1,0,0]=2 1553 B9R1.35 O=C1COC(C(=O)O)C1 Amb32651713 [0,0,0,1,0,0|2,0,0]=3 1554 B9R1.35 O=C1CSC(C(=O)O)C1 Amb24061425 [0,0,0,1,0,0|2,0,0]=3 1555 B9R1.35 O=C1CSC(C(=O)O)O1 Amb25063335 [0,0,0,1,0,0|3,0,0]=4 1556 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 Amb23439643 [0,0,0,1,0,0|2,0,0]=3 1557 B9R1.35 O=C1C[C@@H](C(=O)O)CO1 Amb27253217 [0,0,0,1,0,0|1,0,0]=2 1558 B9R1.35 O=C1C[C@H](C(=O)O)CN1 Amb25946886 [0,0,0,1,0,0|2,0,0]=3 1559 B9R1.35 O=C1N=C(C(=O)O)NN1 Amb18944041 [0,0,0,1,0,0|2,0,1]=4 1560 B9R1.35 O=C1N=C(C(=O)[O-])NO1 Amb33292492 [0,0,0,1,0,0|1,0,2]=4 1561 B9R1.35 O=C1NC(C(=O)Cl)CO1 Amb27484689 [0,0,0,1,0,0|3,0,0]=4 1562 B9R1.35 O=C1NC(C(=O)O)CO1 Amb15701690 [0,0,0,1,0,0|2,0,0]=3 1563 B9R1.35 O=C1NC(C(=O)O)CS1 Amb3319393 [0,0,0,1,0,0|2,1,0]=4 1564 B9R1.35 O=C1NCC(C(=O)O)N1 Amb2780032 [0,0,0,1,0,0|3,0,0]=4 1565 B9R1.35 O=C1NCC(C(=O)O)O1 Amb24112958 [0,0,0,1,0,0|3,0,0]=4 1566 B9R1.35 O=C1NCC(C(=O)O)S1 Amb24084914 [0,0,0,1,0,0|3,0,0]=4 1567 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 Amb3997304 [0,0,0,1,0,0|3,0,0]=4 1568 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 Amb25146207 [0,0,0,1,0,0|3,0,0]=4 1569 B9R1.35 O=C1NC[C@H](C(=O)O)N1 Amb24079612 [0,0,0,1,0,0|3,0,0]=4 1570 B9R1.35 O=C1NC[C@H](C(=O)O)O1 Amb27771494 [0,0,0,1,0,0|3,0,0]=4 1571 B9R1.35 O=C1N[C@@H](C(=O)O)CO1 Amb24340149 [0,0,0,1,0,0|2,0,0]=3 1572 B9R1.35 O=C1N[C@@H](C(=O)O)CS1 Amb537246 [0,0,0,1,0,0|2,1,0]=4 1573 B9R1.35 O=C1N[C@H](C(=O)O)CO1 Amb19517080 [0,0,0,1,0,0|2,0,0]=3 1574 B9R1.35 O=C1N[C@H](C(=O)O)CS1 Amb1157856 [0,0,0,1,0,0|2,1,0]=4 1575 B9R1.35 O=C1OCC(C(=O)O)O1 Amb25767974 [0,0,0,1,0,0|2,0,0]=3 1576 B9R1.35 O=C1SCC(C(=O)O)S1 Amb23504458 [0,0,0,1,0,0|2,1,0]=4 1577 B9R1.36 CC1(C)CC(N)C(=O)O1 Amb18124322 [0,0,0,1,0,0|2,0,1]=4 1578 B9R1.36 CC1(C)CC(N)C(=O)O1 Amb32674857 [0,0,0,1,0,0|2,0,1]=4 1579 B9R1.36 CC1(C)C[C@@H](N)C(=O)O1 Amb28196700 [0,0,0,1,0,0|2,0,1]=4 1580 B9R1.36 CC1(C)C[C@H](N)C(=O)O1 Amb24476611 [0,0,0,1,0,0|2,0,1]=4 1581 B9R1.36 NC1CS(=O)(=O)NC1=O Amb25223128 [0,0,0,1,0,0|2,0,1]=4 1582 B9R1.36 NC1CS(=O)(=O)NC1=O Amb32667177 [0,0,0,1,0,0|2,0,1]=4 1583 B9R1.38 CC1C[C@@H](N)P(=O)(O)O1 Amb27230015 [0,0,0,1,0,0|2,0,1]=4 1584 B9R1.44 CC1CC1(N)CC(=O)O Amb27816522 [0,0,0,1,0,0|2,0,1]=4 1585 B9R1.45 C=C1CC1C(N)C(=O)O Amb24117258 [0,0,0,1,0,0|2,0,0]=3 1586 B9R1.45 C=C1CC1C(N)C(=O)O Amb27489118 [0,0,0,1,0,0|2,0,0]=3 1587 B9R1.45 C=C1CC1C(O)C(=O)O Amb27816361 [0,0,0,1,0,0|3,0,0]=4 1588 B9R1.45 C=C1C[C@@H]1C(O)C(=O)O Amb28410295 [0,0,0,1,0,0|3,0,0]=4 1589 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O Amb28349320 [0,0,0,1,0,0|2,0,0]=3 1590 B9R1.45 CC1CC1C(N)C(=O)O Amb33359576 [0,0,0,1,0,0|2,0,1]=4 1591 B9R1.55 C=C1C[C@@H](C(=O)O)[C@H]1N Amb28055563 [0,0,0,1,0,0|2,0,0]=3 1592 B9R1.55 NC(=O)C1NC(=O)C1N Amb27445718 [0,0,0,1,0,0|2,0,0]=3 1593 B9R1.55 NC1C(=O)NC1C(=O)O Amb25871338 [0,0,0,1,0,0|1,0,0]=2 1594 B9R1.55 N[C@H]1[C@@H](C(=O)O)C[C@H]1O Amb27848566 [0,0,0,1,0,0|1,0,1]=3 1595 B9R1.69 CC1CC(=O)C=CC1=O Amb27750328 [0,0,0,1,0,0|3,0,0]=4 1596 B9R1.69 CC1CC(=O)OCC1O Amb27956456 [0,0,0,1,0,0|2,0,1]=4 1597 B9R1.69 CC1NC(=O)COC1=O Amb20669551 [0,0,0,1,0,0|3,0,0]=4 1598 B9R1.69 CC1OC(=O)COC1=O Amb27421415 [0,0,0,1,0,0|3,0,0]=4 1599 B9R1.69 C[C@@H]1NC(=O)COC1=O Amb28059067 [0,0,0,1,0,0|3,0,0]=4 1600 B9R1.69 NC1CC(O)CCC1=O Amb28430066 [0,0,0,1,0,0|2,0,1]=4 1601 B9R1.69 NC1CC(O)CNC1=O Amb25076949 [0,0,0,1,0,0|2,0,1]=4 1602 B9R1.69 N[C@@H]1C[C@H](O)CNC1=O Amb22745558 [0,0,0,1,0,0|2,0,1]=4 1603 B9R1.69 N[C@@H]1C[C@H](O)CNC1=O Amb22755435 [0,0,0,1,0,0|2,0,1]=4 1604 B9R1.69 N[C@H]1C[C@@H](O)CNC1=O Amb25277394 [0,0,0,1,0,0|2,0,1]=4 1605 B9R1.69 O=C1C=CC(=O)C(O)C1 Amb27191875 [0,0,0,1,0,0|3,0,0]=4 1606 B9R1.69 O=C1CCC(=O)C(Br)C1 Amb25775016 [0,0,0,1,0,0|3,0,0]=4 1607 B9R1.69 O=C1CCC(=O)C(Cl)C1 Amb24452362 [0,0,0,1,0,0|3,0,0]=4 1608 B9R1.112 NC(CC1CC1)C(=O)O Amb23399727 [0,0,0,1,0,0|2,0,1]=4 1609 B9R1.112 NC(CC1CC1)C(=O)O Amb4019455 [0,0,0,1,0,0|2,0,1]=4 1610 B9R1.112 N[C@@H](CC1CC1)C(=O)O Amb24329024 [0,0,0,1,0,0|2,0,1]=4 1611 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O Amb28252257 [0,0,0,1,0,0|1,0,1]=3 1612 B9R1.112 N[C@H](CC1CC1)C(=O)O Amb2699114 [0,0,0,1,0,0|2,0,1]=4 1613 B9R1.137 NC(CC(=O)O)C1CC1 Amb2683273 [0,0,0,1,0,0|2,0,1]=4 1614 B9R1.137 N[C@@H](CC(=O)O)C1CC1 Amb26989123 [0,0,0,1,0,0|2,0,1]=4 1615 B9R1.137 N[C@@H](CC(=O)O)C1CC1 Amb33329309 [0,0,0,1,0,0|2,0,1]=4 1616 B9R1.137 N[C@H](CC(=O)O)C1CC1 Amb24349802 [0,0,0,1,0,0|2,0,1]=4 1617 B9R1.137 N[C@H](CC(=O)O)C1CC1 Amb33329112 [0,0,0,1,0,0|2,0,1]=4 1618 B9R1.152 C=C1CC(C)(C(=O)O)C1 Amb25887446 [0,0,0,1,0,0|3,0,0]=4 1619 B9R1.152 C=C1CC(N)(C(=O)O)C1 Amb34145346 [0,0,0,1,0,0|2,0,0]=3 1620 B9R1.152 C=C1CC(O)(C(=O)O)C1 Amb28201676 [0,0,0,1,0,0|3,0,0]=4 1621 B9R1.152 CC1(C(=O)O)CC(=O)C1 Amb22406208 [0,0,0,1,0,0|2,0,0]=3 1622 B9R1.152 CC1(C(=O)O)CC(O)C1 Amb33361249 [0,0,0,1,0,0|2,0,1]=4 1623 B9R1.152 CC1CC(N)(C(=O)O)C1 Amb25821754 [0,0,0,1,0,0|2,0,1]=4 1624 B9R1.152 CC1CC(N)(C(=O)O)C1 Amb30585229 [0,0,0,1,0,0|2,0,1]=4 1625 B9R1.152 CN1CC(N)(C(=O)O)C1 Amb28312895 [0,0,0,1,0,0|3,0,0]=4 1626 B9R1.152 NC(=O)[C@]1(N)C[C@@H](O)C1 Amb33328633 [0,0,0,1,0,0|2,0,1]=4 1627 B9R1.152 NC(=O)[C@]1(N)C[C@@H](O)C1 Amb33328634 [0,0,0,1,0,0|2,0,1]=4 1628 B9R1.152 NC1(C(=O)O)CC(F)C1 Amb26579071 [0,0,0,1,0,0|2,0,1]=4 1629 B9R1.152 NC1(C(=O)O)CC(F)C1 Amb30585191 [0,0,0,1,0,0|2,0,1]=4 1630 B9R1.152 NC1(C(=O)O)CC(O)C1 Amb26585144 [0,0,0,1,0,0|1,0,1]=3 1631 B9R1.152 NC1(C(=O)O)CC(O)C1 Amb28992378 [0,0,0,1,0,0|1,0,1]=3 1632 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 Amb26959446 [0,0,0,1,0,0|2,0,1]=4 1633 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 Amb32655998 [0,0,0,1,0,0|2,0,1]=4 1634 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 Amb22746505 [0,0,0,1,0,0|2,0,1]=4 1635 B9R1.152 N[C@]1(C(=O)O)C[C@H](O)C1 Amb25297893 [0,0,0,1,0,0|1,0,1]=3 1636 B9R1.152 N[C@]1(C(=O)O)C[C@H](O)C1 Amb32679390 [0,0,0,1,0,0|1,0,1]=3 1637 B9R1.152 O=C(O)C1(F)CC(O)C1 Amb34142466 [0,0,0,1,0,0|2,0,1]=4 1638 B9R1.152 O=C(O)[C@]1(F)C[C@@H](O)C1 Amb34912853 [0,0,0,1,0,0|2,0,1]=4 1639 B9R1.152 O=C(O)[C@]1(F)C[C@H](O)C1 Amb34161934 [0,0,0,1,0,0|2,0,1]=4 1640 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 Amb34147022 [0,0,0,1,0,0|2,0,1]=4 1641 B9R1.152 O=C(O)[C@]1(O)C[C@H](O)C1 Amb34136524 [0,0,0,1,0,0|2,0,1]=4 1642 B9R1.152 O=C1CC(F)(C(=O)O)C1 Amb34136578 [0,0,0,1,0,0|2,0,0]=3 1643 B9R1.161 C=C(C)C1CC1C(=O)O Amb25887453 [0,0,0,1,0,0|3,0,0]=4 1644 B9R1.161 C=C(C)[C@@H]1C[C@H]1C(=O)O Amb33199898 [0,0,0,1,0,0|3,0,0]=4 1645 B9R1.161 CC(=O)C1CC1C(C)=O Amb27861276 [0,0,0,1,0,0|3,0,0]=4 1646 B9R1.161 CC(=O)C1OC1C(N)=O Amb28383609 [0,0,0,1,0,0|3,0,0]=4 1647 B9R1.161 CC(=O)[C@@H]1C[C@H]1C(C)=O Amb28246517 [0,0,0,1,0,0|3,0,0]=4 1648 B9R1.161 CC(=O)[C@@H]1O[C@@H]1C(N)=O Amb27194051 [0,0,0,1,0,0|3,0,0]=4 1649 B9R1.161 CC(=O)[C@H]1C[C@H]1C(C)=O Amb28248083 [0,0,0,1,0,0|3,0,0]=4 1650 B9R1.161 CC(O)C1CC1C(=O)O Amb25888760 [0,0,0,1,0,0|2,0,1]=4 1651 B9R1.161 CC(O)[C@@H]1C[C@@H]1C(=O)O Amb28457538 [0,0,0,1,0,0|2,0,1]=4 1652 B9R1.161 CC(O)[C@@H]1C[C@H]1C(=O)O Amb27489157 [0,0,0,1,0,0|2,0,1]=4 1653 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [0,0,0,1,0,0|2,0,0]=3 1654 B9R1.161 NC(=O)C1CC1C(N)=O Amb27661569 [0,0,0,1,0,0|3,0,0]=4 1655 B9R1.161 NC(=O)C1OC1C(=O)O Amb25695985 [0,0,0,1,0,0|2,0,0]=3 1656 B9R1.161 NC(=O)C1OC1C(N)=O Amb28287239 [0,0,0,1,0,0|3,0,0]=4 1657 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Amb24623178 [0,0,0,1,0,0|2,0,0]=3 1658 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(=O)O Amb27447217 [0,0,0,1,0,0|2,0,0]=3 1659 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O Amb27436130 [0,0,0,1,0,0|2,0,0]=3 1660 B9R1.161 O=C(Cl)C1OC1C(=O)Cl Amb24060960 [0,0,0,1,0,0|3,0,0]=4 1661 B9R1.161 O=C(O)C1CC1B(O)O Amb27599742 [0,0,0,1,0,0|2,0,1]=4 1662 B9R1.161 O=C(O)C1CC1C(=O)Cl Amb26959493 [0,0,0,1,0,0|2,0,0]=3 1663 B9R1.161 O=C(O)C1CC1C(=O)O Amb1350467 [0,0,0,1,0,0|1,0,0]=2 1664 B9R1.161 O=C(O)C1CC1[N+](=O)[O-] Amb9197005 [0,0,0,1,0,0|2,0,1]=4 1665 B9R1.161 O=C(O)C1OC1C(=O)O Amb4001391 [0,0,0,1,0,0|1,0,0]=2 1666 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Amb22901897 [0,0,0,1,0,0|1,0,0]=2 1667 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Amb25109456 [0,0,0,1,0,0|2,0,1]=4 1668 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O Amb22799776 [0,0,0,1,0,0|1,0,0]=2 1669 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O Amb25979295 [0,0,0,1,0,0|1,0,0]=2 1670 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] Amb26439479 [0,0,0,1,0,0|2,0,1]=4 1671 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Amb3442175 [0,0,0,1,0,0|1,0,0]=2 1672 B9R1.161 O=C(O)[C@H]1O[C@@H]1C(=O)O Amb22262951 [0,0,0,1,0,0|1,0,0]=2 1673 B9R1.161 O=C([O-])[C@@H]1N[C@H]1C(=O)[O-] Amb24120358 [0,0,0,1,0,0|0,0,2]=3 1674 B9R1.164 CC1(C)CC(C(=O)O)N1 Amb24117447 [0,0,0,1,0,0|2,0,1]=4 1675 B9R1.164 CC1(O)CC(C(=O)O)C1 Amb33545096 [0,0,0,1,0,0|2,0,1]=4 1676 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 Amb23440037 [0,0,0,1,0,0|2,0,1]=4 1677 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 Amb23440038 [0,0,0,1,0,0|2,0,1]=4 1678 B9R1.164 O=C(O)C1CC(O)(O)C1 Amb27490909 [0,0,0,1,0,0|1,0,2]=4 1679 B9R1.164 O=C(O)C1CP(=O)(O)C1 Amb4297467 [0,0,0,1,0,0|2,0,0]=3 1680 B9R1.164 O=C(O)C1CS(=O)(=O)C1 Amb8439029 [0,0,0,1,0,0|2,0,1]=4 1681 B9R1.169 CC1(C)CC1(N)C(=O)O Amb35788491 [0,0,0,1,0,0|2,0,1]=4 1682 B9R1.169 CC1(C)CC1(N)C(=O)O Amb4296872 [0,0,0,1,0,0|2,0,1]=4 1683 B9R1.169 CC1(C)C[C@@]1(N)C(=O)O Amb4296946 [0,0,0,1,0,0|2,0,1]=4 1684 B9R1.169 NC1(C(=O)O)CC1(F)F Amb25233043 [0,0,0,1,0,0|2,0,1]=4 1685 B9R1.169 N[C@]1(C(=O)O)CC1(F)F Amb25874004 [0,0,0,1,0,0|2,0,1]=4 1686 B7R0.16 C=C(Br)C(N)C(=O)O Amb28193255 [0,0,0,0,1,0|2,0,0]=3 1687 B7R0.16 C=C(C(=O)O)C(=O)Cl Amb28056536 [0,0,0,0,1,0|2,0,1]=4 1688 B7R0.16 C=C(C)C(C)C(=O)O Amb18641781 [0,0,0,0,1,0|3,0,0]=4 1689 B7R0.16 C=C(C)C(N)C(=C)O Amb27762325 [0,0,0,0,1,0|3,0,0]=4 1690 B7R0.16 C=C(C)C(N)C(=O)O Amb18641831 [0,0,0,0,1,0|2,0,0]=3 1691 B7R0.16 C=C(C)C(O)C(=O)O Amb27859701 [0,0,0,0,1,0|3,0,0]=4 1692 B7R0.16 C=C(C)[C@@H](N)C(=O)O Amb26012631 [0,0,0,0,1,0|2,0,0]=3 1693 B7R0.16 C=C(C)[C@@H](O)C(=O)O Amb28071409 [0,0,0,0,1,0|3,0,0]=4 1694 B7R0.16 CC(=O)C(=O)C(=O)O Amb24101563 [0,0,0,0,1,0|2,0,1]=4 1695 B7R0.16 CC(=O)C(Br)C(C)=O Amb22000680 [0,0,0,0,1,0|3,0,0]=4 1696 B7R0.16 CC(=O)C(C)C(=O)Cl Amb27971652 [0,0,0,0,1,0|3,0,0]=4 1697 B7R0.16 CC(=O)C(C)C(C)=O Amb1152249 [0,0,0,0,1,0|3,0,0]=4 1698 B7R0.16 CC(=O)C(Cl)C(C)=O Amb3940505 [0,0,0,0,1,0|3,0,0]=4 1699 B7R0.16 CC(=O)C(N)C(=O)O Amb21962887 [0,0,0,0,1,0|1,0,0]=2 1700 B7R0.16 CC(=O)C(N)C(C)=O Amb18632931 [0,0,0,0,1,0|2,0,0]=3 1701 B7R0.16 CC(=O)C(N)C(C)=O Amb6893881 [0,0,0,0,1,0|2,0,0]=3 1702 B7R0.16 CC(=O)C(O)C(C)=O Amb28048968 [0,0,0,0,1,0|3,0,0]=4 1703 B7R0.16 CC(=O)\C(N)=C(/C)O Amb26452525 [0,0,0,0,1,0|2,0,1]=4 1704 B7R0.16 CC(=S)C(S)C(=O)O Amb27791825 [0,0,0,0,1,0|2,1,0]=4 1705 B7R0.16 CC(C(=O)O)C(=O)O Amb6600127 [0,0,0,0,1,0|1,0,0]=2 1706 B7R0.16 CC(C(N)=O)C(=O)O Amb27401562 [0,0,0,0,1,0|2,0,0]=3 1707 B7R0.16 CC(C(N)=O)C(N)=O Amb4034611 [0,0,0,0,1,0|3,0,0]=4 1708 B7R0.16 CC(C)C(N)C(=O)O Amb5718386 [0,0,0,0,1,0|2,0,1]=4 1709 B7R0.16 CC(C)[C@@H](N)C(=O)O Amb2720566 [0,0,0,0,1,0|2,0,1]=4 1710 B7R0.16 CC(C)[C@H](N)C(=O)O Amb2725465 [0,0,0,0,1,0|2,0,1]=4 1711 B7R0.16 CC(F)C(N)C(=O)O Amb10838661 [0,0,0,0,1,0|2,0,1]=4 1712 B7R0.16 CC(F)C(N)C(=O)O Amb32752736 [0,0,0,0,1,0|2,0,1]=4 1713 B7R0.16 CC(F)[C@@H](N)C(=O)O Amb28316197 [0,0,0,0,1,0|2,0,1]=4 1714 B7R0.16 CC(N)C(N)C(=O)O Amb22728051 [0,0,0,0,1,0|2,0,1]=4 1715 B7R0.16 CC(N)[C@H](N)C(=O)O Amb25083113 [0,0,0,0,1,0|2,0,1]=4 1716 B7R0.16 CC(N)[C@H](N)C(=O)O Amb33740158 [0,0,0,0,1,0|2,0,1]=4 1717 B7R0.16 CC(O)C(Br)C(=O)O Amb17594710 [0,0,0,0,1,0|2,0,1]=4 1718 B7R0.16 CC(O)C(C)C(=O)O Amb17615515 [0,0,0,0,1,0|2,0,1]=4 1719 B7R0.16 CC(O)C(Cl)C(=O)O Amb17593522 [0,0,0,0,1,0|2,0,1]=4 1720 B7R0.16 CC(O)C(F)C(=O)O Amb33544667 [0,0,0,0,1,0|2,0,1]=4 1721 B7R0.16 CC(O)C(N)C(=O)Cl Amb27830226 [0,0,0,0,1,0|2,0,1]=4 1722 B7R0.16 CC(O)C(N)C(=O)O Amb32665460 [0,0,0,0,1,0|1,0,1]=3 1723 B7R0.16 CC(O)C(N)C(=O)O Amb9703096 [0,0,0,0,1,0|1,0,1]=3 1724 B7R0.16 CC(O)C(N)C(N)=O Amb18641954 [0,0,0,0,1,0|2,0,1]=4 1725 B7R0.16 CC(O)C(N)C(N)=O Amb4006836 [0,0,0,0,1,0|2,0,1]=4 1726 B7R0.16 CC(O)C(O)C(=O)O Amb18124272 [0,0,0,0,1,0|2,0,1]=4 1727 B7R0.16 CC(O)[C@H](N)C(N)=O Amb27643319 [0,0,0,0,1,0|2,0,1]=4 1728 B7R0.16 CC(S)C(N)C(=O)O Amb17593434 [0,0,0,0,1,0|1,1,1]=4 1729 B7R0.16 CC(S)[C@@H](N)C(=O)O Amb24606864 [0,0,0,0,1,0|1,1,1]=4 1730 B7R0.16 C[C@@H](F)[C@@H](N)C(=O)O Amb28286576 [0,0,0,0,1,0|2,0,1]=4 1731 B7R0.16 C[C@@H](F)[C@@H](N)C(=O)O Amb32668519 [0,0,0,0,1,0|2,0,1]=4 1732 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O Amb22745441 [0,0,0,0,1,0|2,0,1]=4 1733 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O Amb24481409 [0,0,0,0,1,0|2,0,1]=4 1734 B7R0.16 C[C@@H](O)C(N)C(=O)O Amb26397429 [0,0,0,0,1,0|1,0,1]=3 1735 B7R0.16 C[C@@H](O)[C@@H](Cl)C(=O)O Amb27489415 [0,0,0,0,1,0|2,0,1]=4 1736 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Amb8514159 [0,0,0,0,1,0|1,0,1]=3 1737 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O Amb27812084 [0,0,0,0,1,0|2,0,1]=4 1738 B7R0.16 C[C@@H](O)[C@H](Cl)C(=O)O Amb27188843 [0,0,0,0,1,0|2,0,1]=4 1739 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb22351168 [0,0,0,0,1,0|1,0,1]=3 1740 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb33623705 [0,0,0,0,1,0|1,0,1]=3 1741 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb6599999 [0,0,0,0,1,0|1,0,1]=3 1742 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O Amb17942942 [0,0,0,0,1,0|2,0,1]=4 1743 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O Amb24117242 [0,0,0,0,1,0|1,1,1]=4 1744 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O Amb10844572 [0,0,0,0,1,0|2,0,1]=4 1745 B7R0.16 C[C@H](N)[C@H](N)C(=O)O Amb17678797 [0,0,0,0,1,0|2,0,1]=4 1746 B7R0.16 C[C@H](N)[C@H](N)C(=O)O Amb26887696 [0,0,0,0,1,0|2,0,1]=4 1747 B7R0.16 C[C@H](O)[C@@H](Br)C(=O)O Amb27476235 [0,0,0,0,1,0|2,0,1]=4 1748 B7R0.16 C[C@H](O)[C@@H](F)C(=O)O Amb27837922 [0,0,0,0,1,0|2,0,1]=4 1749 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Amb6297293 [0,0,0,0,1,0|1,0,1]=3 1750 B7R0.16 C[C@H](O)[C@@H](O)C(=O)O Amb25844932 [0,0,0,0,1,0|2,0,1]=4 1751 B7R0.16 C[C@H](O)[C@H](Br)C(=O)O Amb27409077 [0,0,0,0,1,0|2,0,1]=4 1752 B7R0.16 C[C@H](O)[C@H](C)C(=O)O Amb27440373 [0,0,0,0,1,0|2,0,1]=4 1753 B7R0.16 C[C@H](O)[C@H](Cl)C(=O)O Amb27410667 [0,0,0,0,1,0|2,0,1]=4 1754 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb32663639 [0,0,0,0,1,0|1,0,1]=3 1755 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb8514158 [0,0,0,0,1,0|1,0,1]=3 1756 B7R0.16 C[C@H](O)[C@H](O)C(=O)O Amb27831803 [0,0,0,0,1,0|2,0,1]=4 1757 B7R0.16 C[PH](=O)C(O)C(=O)O Amb34916646 [0,0,0,0,1,0|3,0,0]=4 1758 B7R0.16 C\C(O)=C(/N)C(N)=O Amb28429800 [0,0,0,0,1,0|2,0,1]=4 1759 B7R0.16 C\C(O)=C(\N)C(=O)O Amb27191761 [0,0,0,0,1,0|1,0,1]=3 1760 B7R0.16 C\C(O)=C(\O)C(=O)O Amb28282804 [0,0,0,0,1,0|2,0,1]=4 1761 B7R0.16 N=C(N)C(N)C(N)=O Amb27601378 [0,0,0,0,1,0|3,0,0]=4 1762 B7R0.16 NC(=O)C(Br)C(N)=O Amb23504430 [0,0,0,0,1,0|3,0,0]=4 1763 B7R0.16 NC(=O)C(F)C(N)=O Amb27948525 [0,0,0,0,1,0|3,0,0]=4 1764 B7R0.16 NC(=O)C(N)C(N)=O Amb518675 [0,0,0,0,1,0|2,0,0]=3 1765 B7R0.16 NC(=O)C(O)C(N)=O Amb27212957 [0,0,0,0,1,0|3,0,0]=4 1766 B7R0.16 NC(=O)C([Na])C(N)=O Amb27838298 [0,0,0,0,1,0|3,0,0]=4 1767 B7R0.16 NC(=O)[C@H](N)C(=O)O Amb28397054 [0,0,0,0,1,0|1,0,0]=2 1768 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [0,0,0,0,1,0|0,0,0]=1 1769 B7R0.16 NC(C(=O)O)C(F)F Amb24713127 [0,0,0,0,1,0|2,0,1]=4 1770 B7R0.16 NC(C(=O)O)C(F)F Amb32644474 [0,0,0,0,1,0|2,0,1]=4 1771 B7R0.16 N[C@@H](C(=O)O)S(=O)O Amb28125643 [0,0,0,0,1,0|1,0,0]=2 1772 B7R0.16 N[C@H](C(=O)O)C(O)O Amb27867398 [0,0,0,0,1,0|0,0,2]=3 1773 B7R0.16 O=C(Cl)C(Cl)C(=O)Cl Amb27781570 [0,0,0,0,1,0|3,0,0]=4 1774 B7R0.16 O=C(Cl)C(F)C(=O)Cl Amb32456101 [0,0,0,0,1,0|3,0,0]=4 1775 B7R0.16 O=C(O)C(=O)C(=O)O Amb18641943 [0,0,0,0,1,0|1,0,1]=3 1776 B7R0.16 O=C(O)C(Br)C(=O)O Amb17594708 [0,0,0,0,1,0|1,0,0]=2 1777 B7R0.16 O=C(O)C(F)C(=O)O Amb24055884 [0,0,0,0,1,0|1,0,0]=2 1778 B7R0.16 O=C(O)C(O)C(=O)O Amb1215315 [0,0,0,0,1,0|1,0,0]=2 1779 B7R0.16 O=C(O)C(S)C(=O)O Amb28346986 [0,0,0,0,1,0|1,0,0]=2 1780 B9R0.7 C=C(Br)CNC(C)C(=O)O Amb18303282 [0,0,0,0,0,1|3,0,0]=4 1781 B9R0.7 C=C(Br)CN[C@@H](C)C(=O)O Amb27174841 [0,0,0,0,0,1|3,0,0]=4 1782 B9R0.7 C=C(C)C(C)CCC(=O)O Amb27254117 [0,0,0,0,0,1|3,0,0]=4 1783 B9R0.7 C=C(C)C(N)CCC(=O)O Amb33199957 [0,0,0,0,0,1|2,0,0]=3 1784 B9R0.7 C=C(C)CCC(C)C(=O)O Amb25809141 [0,0,0,0,0,1|3,0,0]=4 1785 B9R0.7 C=C(C)CCC(N)C(=O)O Amb28121242 [0,0,0,0,0,1|2,0,0]=3 1786 B9R0.7 C=C(C)CCC(N)C(N)=O Amb27188568 [0,0,0,0,0,1|3,0,0]=4 1787 B9R0.7 C=C(C)CCC(O)C(=O)O Amb27436256 [0,0,0,0,0,1|3,0,0]=4 1788 B9R0.7 C=C(C)CC[C@@H](N)C(=O)O Amb25775219 [0,0,0,0,0,1|2,0,0]=3 1789 B9R0.7 C=C(C)CC[C@H](N)C(=O)O Amb25948355 [0,0,0,0,0,1|2,0,0]=3 1790 B9R0.7 C=C(C)CSC(C)C(=O)O Amb6263518 [0,0,0,0,0,1|3,0,0]=4 1791 B9R0.7 C=C(CCC(=O)O)C(=O)O Amb8391367 [0,0,0,0,0,1|1,0,1]=3 1792 B9R0.7 C=C(CCC(=O)O)C(C)=O Amb27814984 [0,0,0,0,0,1|2,0,1]=4 1793 B9R0.7 C=C(Cl)CCC(N)C(=O)O Amb27424777 [0,0,0,0,0,1|2,0,0]=3 1794 B9R0.7 C=C(F)C(N)CCC(=O)O Amb27849938 [0,0,0,0,0,1|2,0,0]=3 1795 B9R0.7 CC(=C=CC(=O)O)C(=O)O Amb17593578 [0,0,0,0,0,1|1,0,2]=4 1796 B9R0.7 CC(=O)C(=O)NCC(=O)O Amb17593639 [0,0,0,0,0,1|2,0,1]=4 1797 B9R0.7 CC(=O)C(=O)OCC(=O)O Amb28126708 [0,0,0,0,0,1|2,0,1]=4 1798 B9R0.7 CC(=O)C(C)CCC(=O)O Amb4020917 [0,0,0,0,0,1|2,0,0]=3 1799 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [0,0,0,0,0,1|3,0,0]=4 1800 B9R0.7 CC(=O)C(C)SCC(N)=O Amb28206699 [0,0,0,0,0,1|3,0,0]=4 1801 B9R0.7 CC(=O)C(F)CCC(=O)O Amb27620074 [0,0,0,0,0,1|2,0,0]=3 1802 B9R0.7 CC(=O)C(N)CCC(=O)O Amb27875288 [0,0,0,0,0,1|1,0,0]=2 1803 B9R0.7 CC(=O)C(O)CCC(=O)O Amb27826305 [0,0,0,0,0,1|2,0,0]=3 1804 B9R0.7 CC(=O)CCC(Cl)C(C)=O Amb27444965 [0,0,0,0,0,1|3,0,0]=4 1805 B9R0.7 CC(=O)CCC(N)C(=O)O Amb20669473 [0,0,0,0,0,1|1,0,0]=2 1806 B9R0.7 CC(=O)CCC(N)C(=O)O Amb22157242 [0,0,0,0,0,1|1,0,0]=2 1807 B9R0.7 CC(=O)CCC(N)C(N)=O Amb26649117 [0,0,0,0,0,1|2,0,0]=3 1808 B9R0.7 CC(=O)CC[C@@H](N)C(=O)O Amb26516732 [0,0,0,0,0,1|1,0,0]=2 1809 B9R0.7 CC(=O)CC[C@H](N)C(=O)O Amb25147501 [0,0,0,0,0,1|1,0,0]=2 1810 B9R0.7 CC(=O)CNC(=O)C(=O)O Amb24480846 [0,0,0,0,0,1|2,0,1]=4 1811 B9R0.7 CC(=O)CSC(C)C(=O)O Amb17501621 [0,0,0,0,0,1|2,0,0]=3 1812 B9R0.7 CC(=O)CSC(C)C(N)=O Amb27949123 [0,0,0,0,0,1|3,0,0]=4 1813 B9R0.7 CC(=O)N(C)CCC(=O)O Amb2691290 [0,0,0,0,0,1|3,0,0]=4 1814 B9R0.7 CC(=O)N(O)CCC(=O)O Amb28050128 [0,0,0,0,0,1|3,0,0]=4 1815 B9R0.7 CC(=O)NCC(N)C(=O)O Amb26046380 [0,0,0,0,0,1|1,0,0]=2 1816 B9R0.7 CC(=O)NC[C@H](C)C(=O)O Amb27472985 [0,0,0,0,0,1|2,0,0]=3 1817 B9R0.7 CC(=O)OCC(C)C(=O)O Amb28050166 [0,0,0,0,0,1|2,0,0]=3 1818 B9R0.7 CC(=O)OCC(C)C(C)=O Amb27471984 [0,0,0,0,0,1|3,0,0]=4 1819 B9R0.7 CC(=O)OCC(N)C(=O)O Amb17593668 [0,0,0,0,0,1|1,0,0]=2 1820 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O Amb2699176 [0,0,0,0,0,1|1,0,0]=2 1821 B9R0.7 CC(=O)OC[C@@H]([NH3+])C(=O)O Amb3499386 [0,0,0,0,0,1|1,0,1]=3 1822 B9R0.7 CC(=O)OC[C@H](C)C(=O)O Amb28340504 [0,0,0,0,0,1|2,0,0]=3 1823 B9R0.7 CC(=O)OC[C@H](C)C(C)=O Amb28049898 [0,0,0,0,0,1|3,0,0]=4 1824 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb2778750 [0,0,0,0,0,1|1,0,0]=2 1825 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb33757552 [0,0,0,0,0,1|1,0,0]=2 1826 B9R0.7 CC(=O)ONC(C)C(=O)O Amb27765574 [0,0,0,0,0,1|3,0,0]=4 1827 B9R0.7 CC(=O)SCC(C)C(=O)O Amb2732386 [0,0,0,0,0,1|2,0,0]=3 1828 B9R0.7 CC(=O)SCC(C)C(N)=O Amb22586594 [0,0,0,0,0,1|3,0,0]=4 1829 B9R0.7 CC(=O)SCC(Cl)C(=O)Cl Amb28247162 [0,0,0,0,0,1|3,0,0]=4 1830 B9R0.7 CC(=O)SCC(N)C(=O)O Amb22490452 [0,0,0,0,0,1|1,0,0]=2 1831 B9R0.7 CC(=O)SCC(O)C(=O)O Amb31030973 [0,0,0,0,0,1|2,0,0]=3 1832 B9R0.7 CC(=O)SC[C@@H](C)C(=O)Cl Amb26641827 [0,0,0,0,0,1|3,0,0]=4 1833 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O Amb8628177 [0,0,0,0,0,1|2,0,0]=3 1834 B9R0.7 CC(=O)SC[C@H](C)C(=O)Cl Amb25230202 [0,0,0,0,0,1|3,0,0]=4 1835 B9R0.7 CC(=O)[C@H](C)CCC(=O)O Amb24671283 [0,0,0,0,0,1|2,0,0]=3 1836 B9R0.7 CC(C)=CCC(C)C(=O)O Amb18643879 [0,0,0,0,0,1|3,0,0]=4 1837 B9R0.7 CC(C)=CCC(N)C(=O)O Amb6276273 [0,0,0,0,0,1|2,0,0]=3 1838 B9R0.7 CC(C)=CCC(N)C(N)=O Amb24697159 [0,0,0,0,0,1|3,0,0]=4 1839 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O Amb27254062 [0,0,0,0,0,1|2,0,0]=3 1840 B9R0.7 CC(C)=CC[C@H](N)C(=O)O Amb25836895 [0,0,0,0,0,1|2,0,0]=3 1841 B9R0.7 CC(C)C(N)CCC(=O)O Amb18124745 [0,0,0,0,0,1|2,0,1]=4 1842 B9R0.7 CC(C)CCC(N)C(=O)O Amb19269152 [0,0,0,0,0,1|2,0,1]=4 1843 B9R0.7 CC(C)CCC(N)C(=O)O Amb6269218 [0,0,0,0,0,1|2,0,1]=4 1844 B9R0.7 CC(C)CC[C@@H](N)C(=O)O Amb19133196 [0,0,0,0,0,1|2,0,1]=4 1845 B9R0.7 CC(C)CC[C@@H](N)C(=O)O Amb22899130 [0,0,0,0,0,1|2,0,1]=4 1846 B9R0.7 CC(C)CC[C@H](N)C(=O)O Amb16183866 [0,0,0,0,0,1|2,0,1]=4 1847 B9R0.7 CC(C)CC[C@H](N)C(=O)O Amb33339290 [0,0,0,0,0,1|2,0,1]=4 1848 B9R0.7 CC(C)OCC(N)C(=O)O Amb25956723 [0,0,0,0,0,1|2,0,1]=4 1849 B9R0.7 CC(C)OCC(N)C(=O)O Amb32665467 [0,0,0,0,0,1|2,0,1]=4 1850 B9R0.7 CC(C)OC[C@@H](N)C(=O)O Amb24479342 [0,0,0,0,0,1|2,0,1]=4 1851 B9R0.7 CC(C)OC[C@H](N)C(=O)O Amb26960408 [0,0,0,0,0,1|2,0,1]=4 1852 B9R0.7 CC(C)OC[C@H](N)C(=O)O Amb32664966 [0,0,0,0,0,1|2,0,1]=4 1853 B9R0.7 CC(C)SCC(N)C(=O)O Amb6273927 [0,0,0,0,0,1|2,0,1]=4 1854 B9R0.7 CC(CCC(=O)O)C(=O)O Amb6296609 [0,0,0,0,0,1|1,0,0]=2 1855 B9R0.7 CC(CCS(C)=O)C(=O)O Amb27237254 [0,0,0,0,0,1|3,0,0]=4 1856 B9R0.7 CC(CC[N+](=O)[O-])C(=O)O Amb27425087 [0,0,0,0,0,1|2,0,1]=4 1857 B9R0.7 CC(CNC(=N)N)C(=O)O Amb28050103 [0,0,0,0,0,1|3,0,0]=4 1858 B9R0.7 CC(CNC(N)=O)C(=O)O Amb18298054 [0,0,0,0,0,1|2,0,0]=3 1859 B9R0.7 CC(CSC(=N)N)C(=O)O Amb27392409 [0,0,0,0,0,1|3,0,0]=4 1860 B9R0.7 CC(F)C(N)CCC(=O)O Amb27207659 [0,0,0,0,0,1|2,0,1]=4 1861 B9R0.7 CC(NCC(=O)O)C(=O)O Amb26506272 [0,0,0,0,0,1|1,0,0]=2 1862 B9R0.7 CC(NCC(=O)O)C(=O)O Amb3427836 [0,0,0,0,0,1|1,0,0]=2 1863 B9R0.7 CC(NCC(=O)O)C(N)=O Amb9285399 [0,0,0,0,0,1|2,0,0]=3 1864 B9R0.7 CC(NC[C@@H](C)O)C(=O)O Amb27617222 [0,0,0,0,0,1|2,0,1]=4 1865 B9R0.7 CC(NC[C@H](C)O)C(=O)O Amb27248684 [0,0,0,0,0,1|2,0,1]=4 1866 B9R0.7 CC(NNC(N)=O)C(=O)O Amb26391983 [0,0,0,0,0,1|3,0,0]=4 1867 B9R0.7 CC(O)C(C)CCC(=O)O Amb27424805 [0,0,0,0,0,1|2,0,1]=4 1868 B9R0.7 CC(O)C(C)NCC(=O)O Amb27444950 [0,0,0,0,0,1|2,0,1]=4 1869 B9R0.7 CC(O)CCC(N)C(=O)O Amb26598749 [0,0,0,0,0,1|1,0,1]=3 1870 B9R0.7 CC(O)CCC(N)C(N)=O Amb33036759 [0,0,0,0,0,1|2,0,1]=4 1871 B9R0.7 CC(O)CC[C@@H](N)C(=O)O Amb28126862 [0,0,0,0,0,1|1,0,1]=3 1872 B9R0.7 CC(O)CC[C@H](N)C(=O)O Amb26346481 [0,0,0,0,0,1|1,0,1]=3 1873 B9R0.7 CC(O)CNC(C)C(=O)O Amb18523859 [0,0,0,0,0,1|2,0,1]=4 1874 B9R0.7 CC(O)CN[C@H](C)C(=O)O Amb28246243 [0,0,0,0,0,1|2,0,1]=4 1875 B9R0.7 CC(O)CO[C@@H](C)C(=O)O Amb27273395 [0,0,0,0,0,1|2,0,1]=4 1876 B9R0.7 CC(O)NC[C@H](N)C(=O)O Amb24575047 [0,0,0,0,0,1|1,0,1]=3 1877 B9R0.7 CC(O)OC[C@@H](N)C(=O)O Amb28348403 [0,0,0,0,0,1|1,0,1]=3 1878 B9R0.7 CC(SCC(=O)O)C(=O)O Amb2431034 [0,0,0,0,0,1|1,0,0]=2 1879 B9R0.7 CC(SCC(N)=O)C(N)=O Amb27184474 [0,0,0,0,0,1|3,0,0]=4 1880 B9R0.7 CN(C)CCC(N)C(=O)O Amb32661000 [0,0,0,0,0,1|3,0,0]=4 1881 B9R0.7 CN(C)CCC(N)C(=O)O Amb6259376 [0,0,0,0,0,1|3,0,0]=4 1882 B9R0.7 CN(C)CC[C@@H](N)C(=O)O Amb26453522 [0,0,0,0,0,1|3,0,0]=4 1883 B9R0.7 CN(C)CC[C@H](N)C(=O)O Amb25108550 [0,0,0,0,0,1|3,0,0]=4 1884 B9R0.7 CN(C)NCC(N)C(=O)O Amb28045970 [0,0,0,0,0,1|3,0,0]=4 1885 B9R0.7 CN(CCC(=O)O)C(N)=O Amb18984979 [0,0,0,0,0,1|3,0,0]=4 1886 B9R0.7 CN(O)CC[C@H](N)C(=O)O Amb27640254 [0,0,0,0,0,1|2,0,0]=3 1887 B9R0.7 CS(=N)CCC(N)C(=O)O Amb25243030 [0,0,0,0,0,1|3,0,0]=4 1888 B9R0.7 CS(=O)CCC(N)C(=O)O Amb6336322 [0,0,0,0,0,1|2,0,0]=3 1889 B9R0.7 CS(=O)CCC(N)C(N)=O Amb25869966 [0,0,0,0,0,1|3,0,0]=4 1890 B9R0.7 CS(=O)CCC(O)C(=O)O Amb28118981 [0,0,0,0,0,1|3,0,0]=4 1891 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O Amb19133021 [0,0,0,0,0,1|2,0,0]=3 1892 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Amb6600089 [0,0,0,0,0,1|2,0,0]=3 1893 B9R0.7 CS(=O)NCC(N)C(=O)O Amb28122995 [0,0,0,0,0,1|2,0,0]=3 1894 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O Amb22799543 [0,0,0,0,0,1|1,0,0]=2 1895 B9R0.7 C[C@@H](CC[N+](=O)[O-])C(=O)O Amb24330210 [0,0,0,0,0,1|2,0,1]=4 1896 B9R0.7 C[C@@H](CNC(N)=O)C(=O)O Amb10844047 [0,0,0,0,0,1|2,0,0]=3 1897 B9R0.7 C[C@@H](F)[C@@H](N)CCC(=O)O Amb27604296 [0,0,0,0,0,1|2,0,1]=4 1898 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O Amb22748947 [0,0,0,0,0,1|1,0,0]=2 1899 B9R0.7 C[C@@H](O)[C@H](O)CCC(=O)O Amb27628876 [0,0,0,0,0,1|2,0,1]=4 1900 B9R0.7 C[C@H](CCC(=O)O)C(=O)O Amb22225175 [0,0,0,0,0,1|1,0,0]=2 1901 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O Amb13883662 [0,0,0,0,0,1|2,0,1]=4 1902 B9R0.7 C[C@H](CNC(N)=O)C(=O)O Amb27235917 [0,0,0,0,0,1|2,0,0]=3 1903 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb25133540 [0,0,0,0,0,1|1,0,0]=2 1904 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb33803333 [0,0,0,0,0,1|1,0,0]=2 1905 B9R0.7 C[C@H](NCC(=O)O)C(N)=O Amb27771293 [0,0,0,0,0,1|2,0,0]=3 1906 B9R0.7 C[C@H](O)[C@H](N)CCC(=O)O Amb27217393 [0,0,0,0,0,1|1,0,1]=3 1907 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4006595 [0,0,0,0,0,1|3,0,0]=4 1908 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4006626 [0,0,0,0,0,1|3,0,0]=4 1909 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4007490 [0,0,0,0,0,1|3,0,0]=4 1910 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O Amb35781977 [0,0,0,0,0,1|3,0,0]=4 1911 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O Amb6336613 [0,0,0,0,0,1|3,0,0]=4 1912 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O Amb10601599 [0,0,0,0,0,1|3,0,0]=4 1913 B9R0.7 C[SH](C)CC[C@H](N)C(=O)O Amb24440849 [0,0,0,0,0,1|3,0,0]=4 1914 B9R0.7 C\C(=C/CC(=O)O)C(=O)O Amb27214024 [0,0,0,0,0,1|1,0,1]=3 1915 B9R0.7 C\C(=C\CC(=O)O)C(=O)O Amb25960751 [0,0,0,0,0,1|1,0,1]=3 1916 B9R0.7 C\C(=N/CC(=O)O)C(=O)O Amb27759453 [0,0,0,0,0,1|1,0,1]=3 1917 B9R0.7 C\C(Cl)=C/CC(Cl)C(=O)O Amb27212547 [0,0,0,0,0,1|3,0,0]=4 1918 B9R0.7 C\C(Cl)=C\CC(Cl)C(=O)O Amb17594711 [0,0,0,0,0,1|3,0,0]=4 1919 B9R0.7 C\C(F)=C/C[C@H](N)C(=O)O Amb27205690 [0,0,0,0,0,1|2,0,0]=3 1920 B9R0.7 N=C(N)CCC(N)C(=O)O Amb28185146 [0,0,0,0,0,1|2,0,0]=3 1921 B9R0.7 N=C(N)NCC(N)C(=O)O Amb22169574 [0,0,0,0,0,1|2,0,0]=3 1922 B9R0.7 N=C(N)NCC(N)C(=O)O Amb9871390 [0,0,0,0,0,1|2,0,0]=3 1923 B9R0.7 N=C(N)NCC(O)C(=O)O Amb27229727 [0,0,0,0,0,1|3,0,0]=4 1924 B9R0.7 N=C(N)NC[C@@H](N)C(=O)O Amb28058768 [0,0,0,0,0,1|2,0,0]=3 1925 B9R0.7 N=C(N)NC[C@@H](N)C(=O)O Amb31292962 [0,0,0,0,0,1|2,0,0]=3 1926 B9R0.7 N=C(N)NC[C@H](N)C(=O)O Amb27230623 [0,0,0,0,0,1|2,0,0]=3 1927 B9R0.7 NC(=O)C(=O)NCC(=O)O Amb28050058 [0,0,0,0,0,1|2,0,1]=4 1928 B9R0.7 NC(=O)C(N)CC=C(Cl)Cl Amb29866586 [0,0,0,0,0,1|3,0,0]=4 1929 B9R0.7 NC(=O)C(N)CCC(=O)O Amb18644256 [0,0,0,0,0,1|1,0,0]=2 1930 B9R0.7 NC(=O)CCC(=O)C(=O)O Amb26369364 [0,0,0,0,0,1|2,0,1]=4 1931 B9R0.7 NC(=O)CCC(Br)C(=O)O Amb27828829 [0,0,0,0,0,1|2,0,0]=3 1932 B9R0.7 NC(=O)CCC(N)C(=O)Cl Amb27793490 [0,0,0,0,0,1|2,0,0]=3 1933 B9R0.7 NC(=O)CCC(N)C(=O)O Amb9702792 [0,0,0,0,0,1|1,0,0]=2 1934 B9R0.7 NC(=O)CCC(N)C(N)=O Amb27175153 [0,0,0,0,0,1|2,0,0]=3 1935 B9R0.7 NC(=O)CCC(O)C(N)=O Amb28289307 [0,0,0,0,0,1|3,0,0]=4 1936 B9R0.7 NC(=O)CC[C@@H](Br)C(=O)O Amb28049993 [0,0,0,0,0,1|2,0,0]=3 1937 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Amb2688618 [0,0,0,0,0,1|1,0,0]=2 1938 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [0,0,0,0,0,1|2,0,0]=3 1939 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb25996678 [0,0,0,0,0,1|2,0,0]=3 1940 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Amb6600045 [0,0,0,0,0,1|1,0,0]=2 1941 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [0,0,0,0,0,1|2,0,0]=3 1942 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb33774694 [0,0,0,0,0,1|2,0,0]=3 1943 B9R0.7 NC(=O)CNC(=O)C(=O)O Amb9303805 [0,0,0,0,0,1|2,0,1]=4 1944 B9R0.7 NC(=O)NCC(F)C(=O)O Amb17610485 [0,0,0,0,0,1|2,0,0]=3 1945 B9R0.7 NC(=O)NCC(N)C(=O)O Amb4037018 [0,0,0,0,0,1|1,0,0]=2 1946 B9R0.7 NC(=O)NCC(N)C(N)=O Amb27646620 [0,0,0,0,0,1|2,0,0]=3 1947 B9R0.7 NC(=O)NCC(O)C(=O)O Amb27464106 [0,0,0,0,0,1|2,0,0]=3 1948 B9R0.7 NC(=O)NCC(O)C(N)=O Amb28384014 [0,0,0,0,0,1|3,0,0]=4 1949 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O Amb10068479 [0,0,0,0,0,1|1,0,0]=2 1950 B9R0.7 NC(=O)NC[C@H](N)C(=O)O Amb6298794 [0,0,0,0,0,1|1,0,0]=2 1951 B9R0.7 NC(=O)OCC(N)C(=O)O Amb26968173 [0,0,0,0,0,1|1,0,0]=2 1952 B9R0.7 NC(=O)OC[C@H](N)C(=O)O Amb28126945 [0,0,0,0,0,1|1,0,0]=2 1953 B9R0.7 NC(=O)SCC(N)C(=O)O Amb3993051 [0,0,0,0,0,1|1,0,0]=2 1954 B9R0.7 NC(=O)SC[C@@H](N)C(=O)O Amb10072293 [0,0,0,0,0,1|1,0,0]=2 1955 B9R0.7 NC(=O)SC[C@H](N)C(=O)O Amb22735296 [0,0,0,0,0,1|1,0,0]=2 1956 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O Amb22745051 [0,0,0,0,0,1|1,0,0]=2 1957 B9R0.7 NC(=O)[C@H](N)CCC(=O)O Amb24557281 [0,0,0,0,0,1|1,0,0]=2 1958 B9R0.7 NC(=S)CCC(N)C(=O)O Amb27448533 [0,0,0,0,0,1|1,1,0]=3 1959 B9R0.7 NC(=S)CC[C@H](N)C(=O)O Amb27640783 [0,0,0,0,0,1|1,1,0]=3 1960 B9R0.7 NC(CC=C(Cl)Cl)C(=O)O Amb28239821 [0,0,0,0,0,1|2,0,0]=3 1961 B9R0.7 NC(CCB(O)O)C(=O)O Amb22497480 [0,0,0,0,0,1|1,0,1]=3 1962 B9R0.7 NC(CCC(=O)Cl)C(=O)O Amb27816376 [0,0,0,0,0,1|1,0,0]=2 1963 B9R0.7 NC(CCC(=O)O)B(O)O Amb26983348 [0,0,0,0,0,1|1,0,1]=3 1964 B9R0.7 NC(CCC(=O)O)C(=O)O Amb8395158 [0,0,0,0,0,1|0,0,0]=1 1965 B9R0.7 NC(CCC(=O)O)C(=O)O Amb9703098 [0,0,0,0,0,1|0,0,0]=1 1966 B9R0.7 NC(CCC(=O)O)C(=O)[O-] Amb4014785 [0,0,0,0,0,1|0,0,1]=2 1967 B9R0.7 NC(CCC(=O)O)C(F)F Amb19148415 [0,0,0,0,0,1|2,0,1]=4 1968 B9R0.7 NC(CC[N+](=O)[O-])C(=O)O Amb27221965 [0,0,0,0,0,1|1,0,1]=3 1969 B9R0.7 NC(CN[N+](=O)[O-])C(=O)O Amb27857570 [0,0,0,0,0,1|1,0,1]=3 1970 B9R0.7 NC(COC(F)F)C(=O)O Amb27849786 [0,0,0,0,0,1|2,0,1]=4 1971 B9R0.7 NC(CSC(=O)O)C(=O)O Amb27491502 [0,0,0,0,0,1|0,0,0]=1 1972 B9R0.7 N[C@@H](CC=C(Cl)Cl)C(=O)O Amb29866596 [0,0,0,0,0,1|2,0,0]=3 1973 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb34915082 [0,0,0,0,0,1|0,0,0]=1 1974 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb3940322 [0,0,0,0,0,1|0,0,0]=1 1975 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb8513626 [0,0,0,0,0,1|0,0,0]=1 1976 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] Amb22745619 [0,0,0,0,0,1|0,0,1]=2 1977 B9R0.7 N[C@@H](CCC(O)=S)C(=O)O Amb24480492 [0,0,0,0,0,1|0,1,0]=2 1978 B9R0.7 N[C@@H](CCS(=O)O)C(=O)O Amb25972325 [0,0,0,0,0,1|1,0,0]=2 1979 B9R0.7 N[C@@H](CC[PH](=O)O)C(=O)O Amb22904307 [0,0,0,0,0,1|1,0,0]=2 1980 B9R0.7 N[C@@H](CO[N+](=O)[O-])C(=O)O Amb27793180 [0,0,0,0,0,1|1,0,1]=3 1981 B9R0.7 N[C@@H](CSC(=O)O)C(=O)O Amb27666945 [0,0,0,0,0,1|0,0,0]=1 1982 B9R0.7 N[C@H](CC=C(Cl)Cl)C(=O)O Amb29866643 [0,0,0,0,0,1|2,0,0]=3 1983 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Amb2720565 [0,0,0,0,0,1|0,0,0]=1 1984 B9R0.7 N[C@H](COC(F)F)C(=O)O Amb27637675 [0,0,0,0,0,1|2,0,1]=4 1985 B9R0.7 N[C@H](CSC(F)F)C(=O)O Amb28290955 [0,0,0,0,0,1|2,0,1]=4 1986 B9R0.7 O=C(Cl)SCC(=O)C(=O)O Amb33070040 [0,0,0,0,0,1|2,0,1]=4 1987 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb1154117 [0,0,0,0,0,1|1,0,1]=3 1988 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb16232496 [0,0,0,0,0,1|1,0,1]=3 1989 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb22746233 [0,0,0,0,0,1|1,0,1]=3 1990 B9R0.7 O=C(O)CCC(Br)C(=O)O Amb26568399 [0,0,0,0,0,1|1,0,0]=2 1991 B9R0.7 O=C(O)CCC(Cl)C(=O)O Amb17594149 [0,0,0,0,0,1|1,0,0]=2 1992 B9R0.7 O=C(O)CCC(O)C(=O)O Amb18124864 [0,0,0,0,0,1|1,0,0]=2 1993 B9R0.7 O=C(O)CCC(S)C(=O)O Amb27983646 [0,0,0,0,0,1|1,0,0]=2 1994 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O Amb22799690 [0,0,0,0,0,1|1,0,0]=2 1995 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O Amb26885416 [0,0,0,0,0,1|1,0,0]=2 1996 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O Amb26590823 [0,0,0,0,0,1|1,0,0]=2 1997 B9R0.7 O=C(O)CC[C@H](O)C(=O)O Amb25948742 [0,0,0,0,0,1|1,0,0]=2 1998 B9R0.7 O=C(O)CNC(=O)C(=O)O Amb2447304 [0,0,0,0,0,1|1,0,1]=3 1999 B9R0.7 O=C(O)COC(=O)C(=O)O Amb28050116 [0,0,0,0,0,1|1,0,1]=3 2000 B9R0.7 O=C(O)C\C=C(/Cl)C(=O)O Amb27863082 [0,0,0,0,0,1|1,0,1]=3 2001 B9R0.7 O=C(O)[C@H](O)CO[PH](=O)O Amb27955235 [0,0,0,0,0,1|2,0,0]=3 2002 B9R0.7 O=C(O)\C=C\C(=O)C(=O)O Amb27214257 [0,0,0,0,0,1|1,0,2]=4 2003 B9R0.7 O=C([O-])CCC(=O)C(=O)O Amb22231405 [0,0,0,0,0,1|1,0,2]=4 2004 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Amb17615399 [0,0,0,0,0,1|1,0,2]=4 2005 B9R0.53 C=C(C)CC(N)CC(=O)O Amb32687894 [0,0,0,0,0,1|2,0,0]=3 2006 B9R0.53 CC(=O)CC(C)OC(N)=O Amb27196213 [0,0,0,0,0,1|3,0,0]=4 2007 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [0,0,0,0,0,1|2,0,0]=3 2008 B9R0.53 CC(=O)C[C@H](C)OC(C)=O Amb25863249 [0,0,0,0,0,1|3,0,0]=4 2009 B9R0.53 CC(=O)NC(=O)CC(=O)O Amb24671240 [0,0,0,0,0,1|2,0,1]=4 2010 B9R0.53 CC(=O)NC(C)CC(=O)O Amb9007551 [0,0,0,0,0,1|2,0,0]=3 2011 B9R0.53 CC(=O)NC(C)CC(N)=O Amb27454423 [0,0,0,0,0,1|3,0,0]=4 2012 B9R0.53 CC(=O)NN(C)CC(=O)O Amb24430379 [0,0,0,0,0,1|3,0,0]=4 2013 B9R0.53 CC(=O)N[C@@H](C)CC(=O)O Amb2372568 [0,0,0,0,0,1|2,0,0]=3 2014 B9R0.53 CC(=O)O[C@@H](C)CC(=O)O Amb28340506 [0,0,0,0,0,1|2,0,0]=3 2015 B9R0.53 CC(=O)SC(C)CC(=O)O Amb4014288 [0,0,0,0,0,1|2,0,0]=3 2016 B9R0.53 CC(C)=CC(N)CC(N)=O Amb25805588 [0,0,0,0,0,1|3,0,0]=4 2017 B9R0.53 CC(C)CC(N)CC(=O)O Amb2438867 [0,0,0,0,0,1|2,0,1]=4 2018 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Amb8631385 [0,0,0,0,0,1|2,0,1]=4 2019 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Amb8631386 [0,0,0,0,0,1|2,0,1]=4 2020 B9R0.53 CC(C)C[C@H](N)CC(=O)O Amb16184017 [0,0,0,0,0,1|2,0,1]=4 2021 B9R0.53 CC(C)C[C@H](N)CC(=O)O Amb19944305 [0,0,0,0,0,1|2,0,1]=4 2022 B9R0.53 CC(CC(=O)Cl)CC(=O)Cl Amb28076995 [0,0,0,0,0,1|3,0,0]=4 2023 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [0,0,0,0,0,1|1,0,0]=2 2024 B9R0.53 CC(CC(=O)O)NC(=N)N Amb25696242 [0,0,0,0,0,1|3,0,0]=4 2025 B9R0.53 CC(CC(=O)O)NC(N)=O Amb9018480 [0,0,0,0,0,1|2,0,0]=3 2026 B9R0.53 CC(CC(N)=O)CC(N)=O Amb4020693 [0,0,0,0,0,1|3,0,0]=4 2027 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [0,0,0,0,0,1|2,0,0]=3 2028 B9R0.53 CS(=O)C[C@H](N)CC(=O)O Amb27776743 [0,0,0,0,0,1|2,0,0]=3 2029 B9R0.53 C[C@@H](CC(N)=O)CC(=O)O Amb27404517 [0,0,0,0,0,1|2,0,0]=3 2030 B9R0.53 C\C(=C/C(=O)O)CC(=O)O Amb24556420 [0,0,0,0,0,1|1,0,1]=3 2031 B9R0.53 C\C(=C\C(=O)O)CC(=O)O Amb26421861 [0,0,0,0,0,1|1,0,1]=3 2032 B9R0.53 NC(=O)CC(N)CC(=O)O Amb27837998 [0,0,0,0,0,1|1,0,0]=2 2033 B9R0.53 NC(=O)CC(O)CC(N)=O Amb27203532 [0,0,0,0,0,1|3,0,0]=4 2034 B9R0.53 NC(=O)C[C@@H](N)CC(=O)O Amb26023970 [0,0,0,0,0,1|1,0,0]=2 2035 B9R0.53 NC(=O)NC(=O)CC(=O)O Amb25887627 [0,0,0,0,0,1|2,0,1]=4 2036 B9R0.53 NC(=O)\C=C(/N)CC(N)=O Amb27846214 [0,0,0,0,0,1|2,0,1]=4 2037 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [0,0,0,0,0,1|0,0,0]=1 2038 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [0,0,0,0,0,1|0,0,0]=1 2039 B9R0.53 NN(CC(=O)O)CC(=O)O Amb534841 [0,0,0,0,0,1|1,0,0]=2 2040 B9R0.53 O=C(Cl)CC(Cl)CC(=O)Cl Amb27390104 [0,0,0,0,0,1|3,0,0]=4 2041 B9R0.53 O=C(O)CC(=O)CC(=O)O Amb6298323 [0,0,0,0,0,1|1,0,1]=3 2042 B9R0.53 O=C(O)CC(Br)CC(=O)O Amb28049987 [0,0,0,0,0,1|1,0,0]=2 2043 B9R0.53 O=C(O)CC(O)CC(=O)O Amb17615401 [0,0,0,0,0,1|1,0,0]=2 2044 B9R0.53 O=C(O)CS(=O)CC(=O)O Amb6364793 [0,0,0,0,0,1|2,0,0]=3 2045 B9R0.53 O=C(O)\C=C(\Cl)CC(=O)O Amb2612119 [0,0,0,0,0,1|1,0,1]=3 2046 B9R0.53 [NH3+]N(CC(=O)O)CC(=O)O Amb23453377 [0,0,0,0,0,1|1,0,1]=3 2047 B6R0.1 C=CC(C)CC=O Amb18120863 [2,0,0,0,0,0|2,0,0]=4 2048 B6R0.1 C=CC(N)CCO Amb22496689 [2,0,0,0,0,0|1,0,1]=4 2049 B6R0.1 C=CC(O)CC=O Amb27401128 [2,0,0,0,0,0|2,0,0]=4 2050 B6R0.1 C=CCC(C)C=O Amb4358618 [2,0,0,0,0,0|2,0,0]=4 2051 B6R0.1 C=CCC(N)CO Amb24745656 [2,0,0,0,0,0|1,0,1]=4 2052 B6R0.1 C=CCC(N)CO Amb33548733 [2,0,0,0,0,0|1,0,1]=4 2053 B6R0.1 C=CC[C@@H](N)C=C Amb27213303 [2,0,0,0,0,0|2,0,0]=4 2054 B6R0.1 C=CC[C@@H](N)CO Amb24088744 [2,0,0,0,0,0|1,0,1]=4 2055 B6R0.1 C=CC[C@@H](N)CO Amb27495413 [2,0,0,0,0,0|1,0,1]=4 2056 B6R0.1 C=CC[C@H](C)C=O Amb28050198 [2,0,0,0,0,0|2,0,0]=4 2057 B6R0.1 C=CC[C@H](I)C=O Amb28042873 [2,0,0,0,0,0|2,0,0]=4 2058 B6R0.1 C=CC[C@H](N)C=C Amb28313731 [2,0,0,0,0,0|2,0,0]=4 2059 B6R0.1 C=CC[C@H](N)CO Amb24088875 [2,0,0,0,0,0|1,0,1]=4 2060 B6R0.1 C=CC[C@H](N)CO Amb25732908 [2,0,0,0,0,0|1,0,1]=4 2061 B6R0.1 C=C[C@H](C)CC=O Amb28252390 [2,0,0,0,0,0|2,0,0]=4 2062 B6R0.1 CC(C=O)CCO Amb28208492 [2,0,0,0,0,0|1,0,1]=4 2063 B6R0.1 CCC[C@H](N)C=O Amb27488589 [2,0,0,0,0,0|1,0,1]=4 2064 B6R0.1 C[C@@H](C=O)CCO Amb27394744 [2,0,0,0,0,0|1,0,1]=4 2065 B6R0.1 C[C@@H](CO)CC=O Amb27227155 [2,0,0,0,0,0|1,0,1]=4 2066 B6R0.1 C[C@H](C=O)CCO Amb27260814 [2,0,0,0,0,0|1,0,1]=4 2067 B6R0.1 NC(C=O)CC=O Amb27872844 [2,0,0,0,0,0|0,0,0]=2 2068 B6R0.1 NC(CO)CCO Amb27948796 [2,0,0,0,0,0|0,0,2]=4 2069 B6R0.1 NC(CO)CCO Amb32666185 [2,0,0,0,0,0|0,0,2]=4 2070 B6R0.1 N[C@@H](CO)CCO Amb26855089 [2,0,0,0,0,0|0,0,2]=4 2071 B6R0.1 N[C@H](CO)CCO Amb33362376 [2,0,0,0,0,0|0,0,2]=4 2072 B6R0.1 N[C@H](CO)CCO Amb6893747 [2,0,0,0,0,0|0,0,2]=4 2073 B6R0.1 O=CC(Br)CCO Amb28206552 [2,0,0,0,0,0|1,0,1]=4 2074 B6R0.1 O=CC(O)CCO Amb27955546 [2,0,0,0,0,0|1,0,1]=4 2075 B6R0.1 O=CCC(O)C=O Amb28071061 [2,0,0,0,0,0|1,0,0]=3 2076 B6R0.2 C=C(C)CC(=O)O Amb6278832 [2,0,0,0,0,0|1,0,1]=4 2077 B6R0.2 C=C(Cl)CC(=O)O Amb28118668 [2,0,0,0,0,0|1,0,1]=4 2078 B6R0.2 C=C(I)CC(=O)O Amb27598435 [2,0,0,0,0,0|1,0,1]=4 2079 B6R0.2 CC(=O)CC(=O)O Amb377432 [2,0,0,0,0,0|1,0,1]=4 2080 B6R0.2 CC(=O)CC(C)N Amb22587050 [2,0,0,0,0,0|1,0,1]=4 2081 B6R0.2 CC(=O)CC(C)N Amb2583230 [2,0,0,0,0,0|1,0,1]=4 2082 B6R0.2 CC(=O)CC(C)O Amb17593091 [2,0,0,0,0,0|2,0,0]=4 2083 B6R0.2 CC(=O)CC(N)=O Amb6608777 [2,0,0,0,0,0|1,0,1]=4 2084 B6R0.2 CC(=O)C[C@@H](C)N Amb27493422 [2,0,0,0,0,0|1,0,1]=4 2085 B6R0.2 CC(=O)C[C@H](C)N Amb27222720 [2,0,0,0,0,0|1,0,1]=4 2086 B6R0.2 CC(Br)CC(=O)O Amb8517108 [2,0,0,0,0,0|1,0,1]=4 2087 B6R0.2 CC(C)CC(=O)O Amb3939848 [2,0,0,0,0,0|1,0,1]=4 2088 B6R0.2 CC(Cl)CC(=O)O Amb3940607 [2,0,0,0,0,0|1,0,1]=4 2089 B6R0.2 CC(I)CC(=O)O Amb28398380 [2,0,0,0,0,0|1,0,1]=4 2090 B6R0.2 CC(N)CC(=O)O Amb8379759 [2,0,0,0,0,0|0,0,1]=3 2091 B6R0.2 CC(N)CC(=O)S Amb27413857 [2,0,0,0,0,0|0,1,1]=4 2092 B6R0.2 CC(N)CC(N)=O Amb18281237 [2,0,0,0,0,0|1,0,1]=4 2093 B6R0.2 CC(N)CC(N)=O Amb33532770 [2,0,0,0,0,0|1,0,1]=4 2094 B6R0.2 CC(O)CC(=O)O Amb8513187 [2,0,0,0,0,0|1,0,0]=3 2095 B6R0.2 CC(O)CC(=O)[O-] Amb2725536 [2,0,0,0,0,0|1,0,1]=4 2096 B6R0.2 CC(O)CC(N)=O Amb26394320 [2,0,0,0,0,0|2,0,0]=4 2097 B6R0.2 CC(S)CC(=O)O Amb33538201 [2,0,0,0,0,0|1,0,1]=4 2098 B6R0.2 CN(N)CC(=O)O Amb23592296 [2,0,0,0,0,0|1,0,1]=4 2099 B6R0.2 CN(O)CC(=O)O Amb29838290 [2,0,0,0,0,0|2,0,0]=4 2100 B6R0.2 C[C@@H](Br)CC(=O)O Amb27637683 [2,0,0,0,0,0|1,0,1]=4 2101 B6R0.2 C[C@@H](Cl)CC(=O)O Amb27851223 [2,0,0,0,0,0|1,0,1]=4 2102 B6R0.2 C[C@@H](N)CC(=O)O Amb16184009 [2,0,0,0,0,0|0,0,1]=3 2103 B6R0.2 C[C@@H](N)CC(=O)O Amb8397201 [2,0,0,0,0,0|0,0,1]=3 2104 B6R0.2 C[C@@H](O)CC(=O)O Amb4166322 [2,0,0,0,0,0|1,0,0]=3 2105 B6R0.2 C[C@@H](O)CC(=O)[O-] Amb8470924 [2,0,0,0,0,0|1,0,1]=4 2106 B6R0.2 C[C@H](Br)CC(=O)O Amb24432019 [2,0,0,0,0,0|1,0,1]=4 2107 B6R0.2 C[C@H](N)CC(=O)O Amb16184012 [2,0,0,0,0,0|0,0,1]=3 2108 B6R0.2 C[C@H](N)CC(=O)O Amb8397200 [2,0,0,0,0,0|0,0,1]=3 2109 B6R0.2 C[C@H](N)CC(N)=O Amb27873963 [2,0,0,0,0,0|1,0,1]=4 2110 B6R0.2 C[C@H](O)CC(=O)O Amb22232025 [2,0,0,0,0,0|1,0,0]=3 2111 B6R0.2 NC(=O)CC(=O)O Amb4034884 [2,0,0,0,0,0|0,0,1]=3 2112 B6R0.2 NC(=O)CC(=O)[O-] Amb22263088 [2,0,0,0,0,0|0,0,2]=4 2113 B6R0.2 NC(=O)CC(N)=O Amb1971463 [2,0,0,0,0,0|1,0,1]=4 2114 B6R0.2 NC(=S)CC(=O)O Amb17465742 [2,0,0,0,0,0|0,1,1]=4 2115 B6R0.2 NC(S)CC(=O)O Amb27391244 [2,0,0,0,0,0|0,1,0]=3 2116 B6R0.2 O=C(O)CB(O)O Amb24053058 [2,0,0,0,0,0|2,0,0]=4 2117 B6R0.2 O=C(O)CC(=O)Cl Amb26946943 [2,0,0,0,0,0|1,0,1]=4 2118 B6R0.2 O=C(O)CC(=O)O Amb2689065 [2,0,0,0,0,0|1,0,1]=4 2119 B6R0.2 O=C(O)CC(Cl)Cl Amb27815068 [2,0,0,0,0,0|2,0,0]=4 2120 B6R0.2 O=C(O)CC(F)F Amb22001551 [2,0,0,0,0,0|2,0,0]=4 2121 B6R0.2 O=C(O)CS(=O)O Amb27788997 [2,0,0,0,0,0|2,0,0]=4 2122 B6R0.4 C#CCCC(=O)O Amb33532622 [2,0,0,0,0,0|1,0,1]=4 2123 B6R0.4 C=CCCC(=O)Cl Amb3939003 [2,0,0,0,0,0|2,0,0]=4 2124 B6R0.4 C=CCCC(=O)O Amb3940112 [2,0,0,0,0,0|1,0,0]=3 2125 B6R0.4 C=CCCC(C)=O Amb2721704 [2,0,0,0,0,0|2,0,0]=4 2126 B6R0.4 C=CCCC(N)=O Amb28136349 [2,0,0,0,0,0|2,0,0]=4 2127 B6R0.4 C=CNCC(=O)O Amb28346027 [2,0,0,0,0,0|2,0,0]=4 2128 B6R0.4 C=COCC(=O)O Amb27247261 [2,0,0,0,0,0|2,0,0]=4 2129 B6R0.4 CC(=O)CCC=O Amb18639597 [2,0,0,0,0,0|1,0,0]=3 2130 B6R0.4 CC(=O)CCCO Amb3940340 [2,0,0,0,0,0|1,0,1]=4 2131 B6R0.4 CC(=O)NCC=O Amb25757509 [2,0,0,0,0,0|2,0,0]=4 2132 B6R0.4 CC(=O)SCC=O Amb27873378 [2,0,0,0,0,0|2,0,0]=4 2133 B6R0.4 CC(O)CCC=O Amb17593090 [2,0,0,0,0,0|1,0,1]=4 2134 B6R0.4 CCCCC(=O)O Amb3939877 [2,0,0,0,0,0|1,0,1]=4 2135 B6R0.4 CNCCC(=O)O Amb10609760 [2,0,0,0,0,0|2,0,0]=4 2136 B6R0.4 CNCCC(=O)O Amb7766400 [2,0,0,0,0,0|2,0,0]=4 2137 B6R0.4 COCCC(=O)O Amb3938990 [2,0,0,0,0,0|2,0,0]=4 2138 B6R0.4 CSCCC(=O)O Amb3939879 [2,0,0,0,0,0|2,0,0]=4 2139 B6R0.4 C[C@H](O)CCC=O Amb27188424 [2,0,0,0,0,0|1,0,1]=4 2140 B6R0.4 C\C=C\CC(=O)O Amb3941538 [2,0,0,0,0,0|1,0,1]=4 2141 B6R0.4 N#CCCC(=O)O Amb2694975 [2,0,0,0,0,0|1,0,1]=4 2142 B6R0.4 N=CNCC(=O)O Amb24670244 [2,0,0,0,0,0|2,0,0]=4 2143 B6R0.4 NC(=O)CCCO Amb20623438 [2,0,0,0,0,0|1,0,1]=4 2144 B6R0.4 NCCCC(=O)O Amb1935210 [2,0,0,0,0,0|1,0,1]=4 2145 B6R0.4 NNCCC(=O)O Amb33756816 [2,0,0,0,0,0|2,0,0]=4 2146 B6R0.4 NOCCC(=O)O Amb17569891 [2,0,0,0,0,0|2,0,0]=4 2147 B6R0.4 NOCCC(=O)O Amb32693437 [2,0,0,0,0,0|2,0,0]=4 2148 B6R0.4 O=C(O)CCCBr Amb8393276 [2,0,0,0,0,0|1,0,1]=4 2149 B6R0.4 O=C(O)CCCCl Amb3940333 [2,0,0,0,0,0|1,0,1]=4 2150 B6R0.4 O=C(O)CCCF Amb17593104 [2,0,0,0,0,0|1,0,1]=4 2151 B6R0.4 O=C(O)CCCI Amb22295911 [2,0,0,0,0,0|1,0,1]=4 2152 B6R0.4 O=C(O)CCCO Amb18640332 [2,0,0,0,0,0|0,0,1]=3 2153 B6R0.4 O=C(O)CCCS Amb16185429 [2,0,0,0,0,0|0,1,1]=4 2154 B6R0.4 O=C(O)CCNO Amb28067767 [2,0,0,0,0,0|1,0,0]=3 2155 B6R0.4 O=C(O)CCSCl Amb28387511 [2,0,0,0,0,0|2,0,0]=4 2156 B6R0.4 O=C(O)CPCO Amb28340565 [2,0,0,0,0,0|1,0,1]=4 2157 B6R0.4 O=C(O)C\C=C/Br Amb27483815 [2,0,0,0,0,0|1,0,1]=4 2158 B6R0.4 O=C(O)C\C=C\Cl Amb25111871 [2,0,0,0,0,0|1,0,1]=4 2159 B6R0.4 O=C([O-])CCCO Amb3429667 [2,0,0,0,0,0|0,0,2]=4 2160 B6R0.4 O=CCCC(=O)O Amb17673897 [2,0,0,0,0,0|0,0,0]=2 2161 B6R0.4 O=CCCC(O)O Amb27838257 [2,0,0,0,0,0|0,0,2]=4 2162 B6R0.4 O=CCC[N+](=O)[O-] Amb24052990 [2,0,0,0,0,0|1,0,1]=4 2163 B6R0.4 O=CNCC(=O)O Amb1911508 [2,0,0,0,0,0|1,0,0]=3 2164 B6R0.4 O=COCC(=O)O Amb26624011 [2,0,0,0,0,0|1,0,0]=3 2165 B6R0.4 O=C\C=C/C(=O)O Amb26023446 [2,0,0,0,0,0|0,0,2]=4 2166 B6R0.4 O=[PH](O)CCCO Amb28345330 [2,0,0,0,0,0|1,0,1]=4 2167 B6R0.3 C#CC(N)C(=O)O Amb28282694 [2,0,0,0,0,0|0,0,2]=4 2168 B6R0.3 C=C(C)C(N)CO Amb26544297 [2,0,0,0,0,0|2,0,0]=4 2169 B6R0.3 C=C(C)[C@@H](N)CO Amb25693320 [2,0,0,0,0,0|2,0,0]=4 2170 B6R0.3 C=C(C)[C@H](N)CO Amb27174504 [2,0,0,0,0,0|2,0,0]=4 2171 B6R0.3 C=C(CO)C(=O)O Amb18121817 [2,0,0,0,0,0|1,0,1]=4 2172 B6R0.3 C=CC(C)C(=O)O Amb21618706 [2,0,0,0,0,0|1,0,1]=4 2173 B6R0.3 C=CC(Cl)C(=O)O Amb27216715 [2,0,0,0,0,0|1,0,1]=4 2174 B6R0.3 C=CC(N)C(=O)O Amb20240543 [2,0,0,0,0,0|0,0,1]=3 2175 B6R0.3 C=CC(O)C(=O)O Amb24061247 [2,0,0,0,0,0|1,0,1]=4 2176 B6R0.3 C=CC(S)C(=O)O Amb28069741 [2,0,0,0,0,0|1,0,1]=4 2177 B6R0.3 C=C[C@@H](C)C(=O)O Amb26350417 [2,0,0,0,0,0|1,0,1]=4 2178 B6R0.3 C=C[C@@H](N)C(=O)O Amb22756048 [2,0,0,0,0,0|0,0,1]=3 2179 B6R0.3 C=C[C@H](C)C(=O)O Amb25929549 [2,0,0,0,0,0|1,0,1]=4 2180 B6R0.3 C=C[C@H](N)C(=O)O Amb2699113 [2,0,0,0,0,0|0,0,1]=3 2181 B6R0.3 CC(=O)C(Br)C=O Amb17232509 [2,0,0,0,0,0|2,0,0]=4 2182 B6R0.3 CC(=O)C(C)C=O Amb18639572 [2,0,0,0,0,0|2,0,0]=4 2183 B6R0.3 CC(=O)C(C)CO Amb10844844 [2,0,0,0,0,0|2,0,0]=4 2184 B6R0.3 CC(=O)C(Cl)C=O Amb28137911 [2,0,0,0,0,0|2,0,0]=4 2185 B6R0.3 CC(=O)C(O)CO Amb26463044 [2,0,0,0,0,0|2,0,0]=4 2186 B6R0.3 CC(=O)[C@@H](O)CO Amb24686516 [2,0,0,0,0,0|2,0,0]=4 2187 B6R0.3 CC(=O)[C@H](N)CO Amb27451047 [2,0,0,0,0,0|1,0,0]=3 2188 B6R0.3 CC(C=O)C(=O)O Amb27784775 [2,0,0,0,0,0|1,0,0]=3 2189 B6R0.3 CC(C=O)C(=O)[Na] Amb27439065 [2,0,0,0,0,0|2,0,0]=4 2190 B6R0.3 CC(CBr)C(=O)O Amb22002601 [2,0,0,0,0,0|2,0,0]=4 2191 B6R0.3 CC(CCl)C(=O)O Amb18522181 [2,0,0,0,0,0|2,0,0]=4 2192 B6R0.3 CC(CF)C(=O)O Amb24432331 [2,0,0,0,0,0|2,0,0]=4 2193 B6R0.3 CC(CN)C(=O)O Amb2699128 [2,0,0,0,0,0|2,0,0]=4 2194 B6R0.3 CC(CN)C(=O)O Amb6773978 [2,0,0,0,0,0|2,0,0]=4 2195 B6R0.3 CC(CN)C(=O)O Amb8631418 [2,0,0,0,0,0|2,0,0]=4 2196 B6R0.3 CC(CO)C(=O)O Amb8011522 [2,0,0,0,0,0|1,0,0]=3 2197 B6R0.3 CC(O)C(N)CO Amb17593100 [2,0,0,0,0,0|1,0,1]=4 2198 B6R0.3 CC(O)C(N)CO Amb32666361 [2,0,0,0,0,0|1,0,1]=4 2199 B6R0.3 CC(O)[C@H](N)CO Amb28050579 [2,0,0,0,0,0|1,0,1]=4 2200 B6R0.3 CCC(Br)C(=O)O Amb5716858 [2,0,0,0,0,0|1,0,1]=4 2201 B6R0.3 CCC(C)C(=O)O Amb9703224 [2,0,0,0,0,0|1,0,1]=4 2202 B6R0.3 CCC(Cl)C(=O)O Amb4017887 [2,0,0,0,0,0|1,0,1]=4 2203 B6R0.3 CCC(F)C(=O)O Amb25716167 [2,0,0,0,0,0|1,0,1]=4 2204 B6R0.3 CCC(N)C(=O)Cl Amb17593240 [2,0,0,0,0,0|1,0,1]=4 2205 B6R0.3 CCC(N)C(=O)O Amb9729506 [2,0,0,0,0,0|0,0,1]=3 2206 B6R0.3 CCC(N)C(N)=O Amb1914080 [2,0,0,0,0,0|1,0,1]=4 2207 B6R0.3 CCC(N)C(N)=O Amb33528521 [2,0,0,0,0,0|1,0,1]=4 2208 B6R0.3 CCC(O)C(=O)O Amb6609018 [2,0,0,0,0,0|1,0,1]=4 2209 B6R0.3 CCC(S)C(=O)O Amb17501370 [2,0,0,0,0,0|1,0,1]=4 2210 B6R0.3 CC[C@@H](Br)C(=O)O Amb9785161 [2,0,0,0,0,0|1,0,1]=4 2211 B6R0.3 CC[C@@H](C)C(=O)O Amb8384578 [2,0,0,0,0,0|1,0,1]=4 2212 B6R0.3 CC[C@@H](Cl)C(=O)O Amb22800493 [2,0,0,0,0,0|1,0,1]=4 2213 B6R0.3 CC[C@@H](N)C(=O)O Amb16233349 [2,0,0,0,0,0|0,0,1]=3 2214 B6R0.3 CC[C@@H](N)C(=O)O Amb3940761 [2,0,0,0,0,0|0,0,1]=3 2215 B6R0.3 CC[C@@H](N)C(C)=O Amb35594875 [2,0,0,0,0,0|1,0,1]=4 2216 B6R0.3 CC[C@@H](N)C(N)=O Amb22232290 [2,0,0,0,0,0|1,0,1]=4 2217 B6R0.3 CC[C@@H](N)C(N)=O Amb22899979 [2,0,0,0,0,0|1,0,1]=4 2218 B6R0.3 CC[C@@H](O)C(=O)O Amb22369401 [2,0,0,0,0,0|1,0,1]=4 2219 B6R0.3 CC[C@H](Br)C(=O)O Amb20242441 [2,0,0,0,0,0|1,0,1]=4 2220 B6R0.3 CC[C@H](C)C(=O)O Amb8514667 [2,0,0,0,0,0|1,0,1]=4 2221 B6R0.3 CC[C@H](Cl)C(=O)O Amb25190040 [2,0,0,0,0,0|1,0,1]=4 2222 B6R0.3 CC[C@H](N)C(=O)O Amb2694208 [2,0,0,0,0,0|0,0,1]=3 2223 B6R0.3 CC[C@H](N)C(=O)O Amb8631089 [2,0,0,0,0,0|0,0,1]=3 2224 B6R0.3 CC[C@H](N)C(C)=O Amb29849605 [2,0,0,0,0,0|1,0,1]=4 2225 B6R0.3 CC[C@H](N)C(N)=O Amb8387112 [2,0,0,0,0,0|1,0,1]=4 2226 B6R0.3 CC[C@H](N)C(N)=O Amb8395789 [2,0,0,0,0,0|1,0,1]=4 2227 B6R0.3 CC[C@H](O)C(=O)O Amb4166324 [2,0,0,0,0,0|1,0,1]=4 2228 B6R0.3 CC[C@H](S)C(=O)O Amb9785162 [2,0,0,0,0,0|1,0,1]=4 2229 B6R0.3 CSC(N)C(=O)O Amb28383509 [2,0,0,0,0,0|1,0,1]=4 2230 B6R0.3 C[C@@H](CF)C(=O)O Amb33743265 [2,0,0,0,0,0|2,0,0]=4 2231 B6R0.3 C[C@@H](CI)C(=O)O Amb28322539 [2,0,0,0,0,0|2,0,0]=4 2232 B6R0.3 C[C@@H](CN)C(=O)O Amb22756746 [2,0,0,0,0,0|2,0,0]=4 2233 B6R0.3 C[C@@H](CN)C(=O)O Amb6600138 [2,0,0,0,0,0|2,0,0]=4 2234 B6R0.3 C[C@@H](CO)C(=O)O Amb10844567 [2,0,0,0,0,0|1,0,0]=3 2235 B6R0.3 C[C@@H](CO)C(N)=O Amb27254152 [2,0,0,0,0,0|2,0,0]=4 2236 B6R0.3 C[C@@H](O)[C@@H](N)CO Amb4493367 [2,0,0,0,0,0|1,0,1]=4 2237 B6R0.3 C[C@@H](O)[C@H](N)C=O Amb27657440 [2,0,0,0,0,0|1,0,1]=4 2238 B6R0.3 C[C@@H](O)[C@H](N)CO Amb32661654 [2,0,0,0,0,0|1,0,1]=4 2239 B6R0.3 C[C@@H](O)[C@H](N)CO Amb4489737 [2,0,0,0,0,0|1,0,1]=4 2240 B6R0.3 C[C@H](CBr)C(=O)O Amb27975404 [2,0,0,0,0,0|2,0,0]=4 2241 B6R0.3 C[C@H](CF)C(=O)O Amb33727262 [2,0,0,0,0,0|2,0,0]=4 2242 B6R0.3 C[C@H](CN)C(=O)O Amb10844022 [2,0,0,0,0,0|2,0,0]=4 2243 B6R0.3 C[C@H](CN)C(=O)O Amb24117452 [2,0,0,0,0,0|2,0,0]=4 2244 B6R0.3 C[C@H](CO)C(=O)O Amb10844554 [2,0,0,0,0,0|1,0,0]=3 2245 B6R0.3 C[C@H](O)[C@@H](N)CO Amb8516107 [2,0,0,0,0,0|1,0,1]=4 2246 B6R0.3 C[C@H](O)[C@H](N)CO Amb24479858 [2,0,0,0,0,0|1,0,1]=4 2247 B6R0.3 N#CC(N)C(=O)O Amb25328320 [2,0,0,0,0,0|1,0,1]=4 2248 B6R0.3 NC(=O)C(N)CO Amb17593097 [2,0,0,0,0,0|1,0,0]=3 2249 B6R0.3 NC(=O)C(N)CO Amb2720301 [2,0,0,0,0,0|1,0,0]=3 2250 B6R0.3 NC(=O)C(N)CS Amb18641990 [2,0,0,0,0,0|1,1,0]=4 2251 B6R0.3 NC(=O)C(N)CS Amb33330875 [2,0,0,0,0,0|1,1,0]=4 2252 B6R0.3 NC(=O)C(O)CO Amb27169520 [2,0,0,0,0,0|2,0,0]=4 2253 B6R0.3 NC(=O)[C@@H](N)CO Amb6336612 [2,0,0,0,0,0|1,0,0]=3 2254 B6R0.3 NC(=O)[C@@H](N)CO Amb8387630 [2,0,0,0,0,0|1,0,0]=3 2255 B6R0.3 NC(=O)[C@@H](N)CS Amb23437751 [2,0,0,0,0,0|1,1,0]=4 2256 B6R0.3 NC(=O)[C@@H](O)CO Amb27816733 [2,0,0,0,0,0|2,0,0]=4 2257 B6R0.3 NC(=O)[C@H](N)CO Amb22886957 [2,0,0,0,0,0|1,0,0]=3 2258 B6R0.3 NC(=O)[C@H](N)CO Amb26505098 [2,0,0,0,0,0|1,0,0]=3 2259 B6R0.3 NC(CCl)C(=O)O Amb19651457 [2,0,0,0,0,0|1,0,0]=3 2260 B6R0.3 NC(CCl)C(=O)O Amb21961077 [2,0,0,0,0,0|1,0,0]=3 2261 B6R0.3 NC(CF)C(=O)O Amb10839589 [2,0,0,0,0,0|1,0,0]=3 2262 B6R0.3 NC(CO)C(=O)O Amb9702805 [2,0,0,0,0,0|0,0,0]=2 2263 B6R0.3 NC(CO)P(O)O Amb27953933 [2,0,0,0,0,0|1,0,1]=4 2264 B6R0.3 NC(CP)C(=O)O Amb27234251 [2,0,0,0,0,0|1,0,0]=3 2265 B6R0.3 NC(CS)C(=O)Cl Amb28050358 [2,0,0,0,0,0|1,1,0]=4 2266 B6R0.3 NC(CS)C(=O)O Amb13961966 [2,0,0,0,0,0|0,1,0]=3 2267 B6R0.3 NC(CS)C(=O)O Amb22489523 [2,0,0,0,0,0|0,1,0]=3 2268 B6R0.3 NC(CS)C(=O)O Amb6537913 [2,0,0,0,0,0|0,1,0]=3 2269 B6R0.3 NC(CS)C(=O)O Amb6537914 [2,0,0,0,0,0|0,1,0]=3 2270 B6R0.3 NC(CS)C(=O)S Amb27838279 [2,0,0,0,0,0|0,2,0]=4 2271 B6R0.3 NC(CS)S(=O)O Amb27238568 [2,0,0,0,0,0|1,1,0]=4 2272 B6R0.3 NC(C[NH3+])C(=O)O Amb4004471 [2,0,0,0,0,0|1,0,0]=3 2273 B6R0.3 NCC(Br)C(=O)O Amb28385732 [2,0,0,0,0,0|2,0,0]=4 2274 B6R0.3 NCC(Cl)C(=O)O Amb17593263 [2,0,0,0,0,0|2,0,0]=4 2275 B6R0.3 NCC(F)C(=O)O Amb22733051 [2,0,0,0,0,0|2,0,0]=4 2276 B6R0.3 NCC(F)C(=O)O Amb2688010 [2,0,0,0,0,0|2,0,0]=4 2277 B6R0.3 NCC(N)C(=O)O Amb22899095 [2,0,0,0,0,0|1,0,0]=3 2278 B6R0.3 NCC(N)C(=O)O Amb2697095 [2,0,0,0,0,0|1,0,0]=3 2279 B6R0.3 NCC(N)C(=O)O Amb8514284 [2,0,0,0,0,0|1,0,0]=3 2280 B6R0.3 NCC(O)C(=O)O Amb8517492 [2,0,0,0,0,0|2,0,0]=4 2281 B6R0.3 NCC(S)C(=O)O Amb17593238 [2,0,0,0,0,0|2,0,0]=4 2282 B6R0.3 NC[C@@H](F)C(=O)O Amb25824168 [2,0,0,0,0,0|2,0,0]=4 2283 B6R0.3 NC[C@@H](F)C(=O)O Amb31291438 [2,0,0,0,0,0|2,0,0]=4 2284 B6R0.3 NC[C@@H](N)C(=O)O Amb22745957 [2,0,0,0,0,0|1,0,0]=3 2285 B6R0.3 NC[C@@H](N)C(=O)O Amb8515776 [2,0,0,0,0,0|1,0,0]=3 2286 B6R0.3 NC[C@@H](N)C(N)=O Amb27981260 [2,0,0,0,0,0|2,0,0]=4 2287 B6R0.3 NC[C@@H](O)C(=O)O Amb22169412 [2,0,0,0,0,0|2,0,0]=4 2288 B6R0.3 NC[C@H](F)C(=O)O Amb27254153 [2,0,0,0,0,0|2,0,0]=4 2289 B6R0.3 NC[C@H](F)C(=O)O Amb31291433 [2,0,0,0,0,0|2,0,0]=4 2290 B6R0.3 NC[C@H](N)C(=O)O Amb16183820 [2,0,0,0,0,0|1,0,0]=3 2291 B6R0.3 NC[C@H](N)C(=O)O Amb33842544 [2,0,0,0,0,0|1,0,0]=3 2292 B6R0.3 NC[C@H](N)C(=O)O Amb8515775 [2,0,0,0,0,0|1,0,0]=3 2293 B6R0.3 NC[C@H](O)C(=O)O Amb4166313 [2,0,0,0,0,0|2,0,0]=4 2294 B6R0.3 N[C@@H](C=S)C(=O)O Amb27838199 [2,0,0,0,0,0|0,1,0]=3 2295 B6R0.3 N[C@@H](CBr)C(=O)O Amb27188433 [2,0,0,0,0,0|1,0,0]=3 2296 B6R0.3 N[C@@H](CCl)C(=O)O Amb22232860 [2,0,0,0,0,0|1,0,0]=3 2297 B6R0.3 N[C@@H](CCl)C(=O)O Amb8515277 [2,0,0,0,0,0|1,0,0]=3 2298 B6R0.3 N[C@@H](CO)C(=O)O Amb22351170 [2,0,0,0,0,0|0,0,0]=2 2299 B6R0.3 N[C@@H](CO)C(=O)O Amb8387621 [2,0,0,0,0,0|0,0,0]=2 2300 B6R0.3 N[C@@H](CS)C(=O)O Amb3940755 [2,0,0,0,0,0|0,1,0]=3 2301 B6R0.3 N[C@@H](CS)C(=O)O Amb8385453 [2,0,0,0,0,0|0,1,0]=3 2302 B6R0.3 N[C@@H](CS)C(=O)O Amb9826090 [2,0,0,0,0,0|0,1,0]=3 2303 B6R0.3 N[C@@H](CS)S(=O)O Amb27391675 [2,0,0,0,0,0|1,1,0]=4 2304 B6R0.3 N[C@@H](C[SeH])C(=O)O Amb31031035 [2,0,0,0,0,0|0,1,0]=3 2305 B6R0.3 N[C@H](CCl)C(=O)Cl Amb28143184 [2,0,0,0,0,0|2,0,0]=4 2306 B6R0.3 N[C@H](CCl)C(=O)O Amb2699111 [2,0,0,0,0,0|1,0,0]=3 2307 B6R0.3 N[C@H](CCl)C(=O)O Amb9813688 [2,0,0,0,0,0|1,0,0]=3 2308 B6R0.3 N[C@H](CO)C(=O)Cl Amb28058341 [2,0,0,0,0,0|1,0,0]=3 2309 B6R0.3 N[C@H](CO)C(=O)O Amb2690463 [2,0,0,0,0,0|0,0,0]=2 2310 B6R0.3 N[C@H](CS)C(=O)Cl Amb27166396 [2,0,0,0,0,0|1,1,0]=4 2311 B6R0.3 N[C@H](CS)C(=O)O Amb17942912 [2,0,0,0,0,0|0,1,0]=3 2312 B6R0.3 N[C@H](CS)C(=O)O Amb8394603 [2,0,0,0,0,0|0,1,0]=3 2313 B6R0.3 N[C@H](CS)C(=O)O Amb8628479 [2,0,0,0,0,0|0,1,0]=3 2314 B6R0.3 N\C(=N/O)C(=O)O Amb24670890 [2,0,0,0,0,0|1,0,1]=4 2315 B6R0.3 O=C(O)C(=O)CO Amb6600025 [2,0,0,0,0,0|1,0,1]=4 2316 B6R0.3 O=C(O)C(Br)CBr Amb8513574 [2,0,0,0,0,0|2,0,0]=4 2317 B6R0.3 O=C(O)C(Br)CF Amb10605519 [2,0,0,0,0,0|2,0,0]=4 2318 B6R0.3 O=C(O)C(Br)CO Amb18126327 [2,0,0,0,0,0|1,0,0]=3 2319 B6R0.3 O=C(O)C(Cl)CCl Amb22228245 [2,0,0,0,0,0|2,0,0]=4 2320 B6R0.3 O=C(O)C(Cl)CO Amb18124304 [2,0,0,0,0,0|1,0,0]=3 2321 B6R0.3 O=C(O)C(Cl)CS Amb18643661 [2,0,0,0,0,0|1,1,0]=4 2322 B6R0.3 O=C(O)C(F)CO Amb17593117 [2,0,0,0,0,0|1,0,0]=3 2323 B6R0.3 O=C(O)C(O)CBr Amb24061932 [2,0,0,0,0,0|2,0,0]=4 2324 B6R0.3 O=C(O)C(O)CCl Amb6371692 [2,0,0,0,0,0|2,0,0]=4 2325 B6R0.3 O=C(O)C(O)CF Amb27476477 [2,0,0,0,0,0|2,0,0]=4 2326 B6R0.3 O=C(O)C(O)CO Amb17593103 [2,0,0,0,0,0|1,0,0]=3 2327 B6R0.3 O=C(O)C(O)CS Amb18642053 [2,0,0,0,0,0|1,1,0]=4 2328 B6R0.3 O=C(O)C(S)CS Amb18643295 [2,0,0,0,0,0|1,1,0]=4 2329 B6R0.3 O=C(O)[C@@H](Br)CO Amb10601700 [2,0,0,0,0,0|1,0,0]=3 2330 B6R0.3 O=C(O)[C@@H](Cl)CO Amb27968485 [2,0,0,0,0,0|1,0,0]=3 2331 B6R0.3 O=C(O)[C@@H](O)CBr Amb27858794 [2,0,0,0,0,0|2,0,0]=4 2332 B6R0.3 O=C(O)[C@@H](O)CCl Amb22225325 [2,0,0,0,0,0|2,0,0]=4 2333 B6R0.3 O=C(O)[C@@H](O)CF Amb24117272 [2,0,0,0,0,0|2,0,0]=4 2334 B6R0.3 O=C(O)[C@@H](O)CO Amb22226732 [2,0,0,0,0,0|1,0,0]=3 2335 B6R0.3 O=C(O)[C@H](Cl)CO Amb27759746 [2,0,0,0,0,0|1,0,0]=3 2336 B6R0.3 O=C(O)[C@H](O)CBr Amb28137021 [2,0,0,0,0,0|2,0,0]=4 2337 B6R0.3 O=C(O)[C@H](O)CF Amb27467272 [2,0,0,0,0,0|2,0,0]=4 2338 B6R0.3 O=C(O)[C@H](O)CO Amb4166319 [2,0,0,0,0,0|1,0,0]=3 2339 B6R0.3 O=C(O)\C(Cl)=C/O Amb24479774 [2,0,0,0,0,0|1,0,1]=4 2340 B6R0.3 O=C(O)\C(O)=C/O Amb27220871 [2,0,0,0,0,0|1,0,1]=4 2341 B6R0.3 O=CC(Br)C(=O)O Amb27793774 [2,0,0,0,0,0|1,0,0]=3 2342 B6R0.3 O=CC(F)C(=O)O Amb22055301 [2,0,0,0,0,0|1,0,0]=3 2343 B6R0.3 O=C[C@@H](O)C(=O)O Amb27629391 [2,0,0,0,0,0|1,0,0]=3 2344 B8R0.2 C=CC(C)C(C)C(=O)O Amb18642611 [1,1,0,0,0,0|2,0,0]=4 2345 B8R0.2 C=CC(C)C(N)C(=O)O Amb18989861 [1,1,0,0,0,0|2,0,0]=4 2346 B8R0.2 C=CC(C)C(O)C(=O)O Amb18642750 [1,1,0,0,0,0|2,0,0]=4 2347 B8R0.2 C=CC(C)[C@@H](N)C(=O)O Amb25889532 [1,1,0,0,0,0|2,0,0]=4 2348 B8R0.2 C=CC(C)[C@H](N)C(=O)O Amb27761345 [1,1,0,0,0,0|2,0,0]=4 2349 B8R0.2 C=CC(N)C(C)C(=O)O Amb33036213 [1,1,0,0,0,0|1,0,0]=3 2350 B8R0.2 C=CC(O)C(C)C(=O)O Amb18642774 [1,1,0,0,0,0|2,0,0]=4 2351 B8R0.2 C=CC(O)C(N)C(=O)O Amb18642830 [1,1,0,0,0,0|2,0,0]=4 2352 B8R0.2 C=CC(O)[C@H](N)C(=O)O Amb28429839 [1,1,0,0,0,0|2,0,0]=4 2353 B8R0.2 C=C[C@@H](C)[C@H](N)C(=O)O Amb28129785 [1,1,0,0,0,0|2,0,0]=4 2354 B8R0.2 C=C[C@@H](C)[C@H](O)C(=O)O Amb27788648 [1,1,0,0,0,0|2,0,0]=4 2355 B8R0.2 C=C[C@H](C)[C@@H](N)C(=O)O Amb28067623 [1,1,0,0,0,0|2,0,0]=4 2356 B8R0.2 C=C[C@H](C)[C@H](Cl)C(=O)O Amb27601824 [1,1,0,0,0,0|2,0,0]=4 2357 B8R0.2 C=C[C@H](C)[C@H](F)C(=O)O Amb28285951 [1,1,0,0,0,0|2,0,0]=4 2358 B8R0.2 C=C[C@H](O)[C@@H](C)C(=O)O Amb28422977 [1,1,0,0,0,0|2,0,0]=4 2359 B8R0.2 C=C[C@H](O)[C@@H](N)C(=O)O Amb27236340 [1,1,0,0,0,0|2,0,0]=4 2360 B8R0.2 C=C[C@H](O)[C@H](C)C(=O)O Amb28285106 [1,1,0,0,0,0|2,0,0]=4 2361 B8R0.2 CC(=O)C(C)C(C)C=O Amb27643957 [1,1,0,0,0,0|2,0,0]=4 2362 B8R0.2 CC(=O)C(C)C(N)CO Amb27186035 [1,1,0,0,0,0|1,0,1]=4 2363 B8R0.2 CC(C(=O)O)C(N)CN Amb24532823 [1,1,0,0,0,0|1,0,1]=4 2364 B8R0.2 CC(C(=O)O)N(C)C=O Amb18284942 [1,1,0,0,0,0|2,0,0]=4 2365 B8R0.2 CC(CO)C(C)C(=O)O Amb27255789 [1,1,0,0,0,0|1,0,1]=4 2366 B8R0.2 CC(CO)C(N)C(=O)O Amb27629815 [1,1,0,0,0,0|1,0,1]=4 2367 B8R0.2 CC(CO)[C@@H](N)C(=O)O Amb33308939 [1,1,0,0,0,0|1,0,1]=4 2368 B8R0.2 CC(CO)[C@H](N)C(=O)O Amb25918803 [1,1,0,0,0,0|1,0,1]=4 2369 B8R0.2 CC(NO)C(C)C(=O)O Amb27185439 [1,1,0,0,0,0|2,0,0]=4 2370 B8R0.2 CCC(N)C(F)C(=O)O Amb33036406 [1,1,0,0,0,0|1,0,1]=4 2371 B8R0.2 CC[C@H](N)[C@H](C)C(=O)O Amb27779460 [1,1,0,0,0,0|1,0,1]=4 2372 B8R0.2 C[C@@H](CO)[C@@H](N)C(=O)O Amb24117487 [1,1,0,0,0,0|1,0,1]=4 2373 B8R0.2 C[C@@H](CO)[C@@H](N)C(=O)O Amb27828649 [1,1,0,0,0,0|1,0,1]=4 2374 B8R0.2 C[C@@H](CO)[C@H](N)C(=O)O Amb24117488 [1,1,0,0,0,0|1,0,1]=4 2375 B8R0.2 NC(C(=O)O)C(F)CO Amb27950986 [1,1,0,0,0,0|1,0,1]=4 2376 B8R0.2 NC(C(=O)O)C(S)CO Amb27199680 [1,1,0,0,0,0|1,0,1]=4 2377 B8R0.2 NC(CO)C(N)C(=O)O Amb28208230 [1,1,0,0,0,0|0,0,1]=3 2378 B8R0.2 N[C@@H](C(=O)O)C(S)CO Amb27233478 [1,1,0,0,0,0|1,0,1]=4 2379 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO Amb24671346 [1,1,0,0,0,0|1,0,1]=4 2380 B8R0.2 N[C@H](C(=O)O)C(O)CO Amb28255690 [1,1,0,0,0,0|1,0,1]=4 2381 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO Amb25678241 [1,1,0,0,0,0|1,0,1]=4 2382 B8R0.2 O=C(O)C(O)C(O)CO Amb22495524 [1,1,0,0,0,0|1,0,1]=4 2383 B8R0.2 O=C(O)[C@@H](F)[C@H](O)CO Amb27195151 [1,1,0,0,0,0|1,0,1]=4 2384 B8R0.2 O=C(O)[C@H](O)C(O)CO Amb27229496 [1,1,0,0,0,0|1,0,1]=4 2385 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO Amb27849401 [1,1,0,0,0,0|1,0,1]=4 2386 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO Amb32644462 [1,1,0,0,0,0|1,0,1]=4 2387 B8R0.2 O=CC(O)C(O)C(=O)O Amb18124399 [1,1,0,0,0,0|1,0,0]=3 2388 B8R0.2 O=C[C@H](O)[C@H](O)C(=O)O Amb27266059 [1,1,0,0,0,0|1,0,0]=3 2389 B8R0.5 C#CCC(N)CC(=O)O Amb26909337 [1,1,0,0,0,0|1,0,1]=4 2390 B8R0.5 C#CC[C@@H](N)CC(=O)O Amb22746284 [1,1,0,0,0,0|1,0,1]=4 2391 B8R0.5 C#CC[C@@H](N)CC(=O)O Amb24539924 [1,1,0,0,0,0|1,0,1]=4 2392 B8R0.5 C=C=CC(C)CC(=O)O Amb27631675 [1,1,0,0,0,0|2,0,0]=4 2393 B8R0.5 C=CCC(C)CC(=O)O Amb18642628 [1,1,0,0,0,0|2,0,0]=4 2394 B8R0.5 C=CCC(N)CC(=O)O Amb22641964 [1,1,0,0,0,0|1,0,0]=3 2395 B8R0.5 C=CCC(N)CC(=O)O Amb31307622 [1,1,0,0,0,0|1,0,0]=3 2396 B8R0.5 C=CCC(O)CC(=O)O Amb18642785 [1,1,0,0,0,0|2,0,0]=4 2397 B8R0.5 C=CC[C@@H](N)CC(=O)O Amb22746166 [1,1,0,0,0,0|1,0,0]=3 2398 B8R0.5 C=CC[C@@H](N)CC(=O)O Amb2699117 [1,1,0,0,0,0|1,0,0]=3 2399 B8R0.5 C=CC[C@@H](O)CC(=O)O Amb28073530 [1,1,0,0,0,0|2,0,0]=4 2400 B8R0.5 C=CC[C@H](N)CC(=O)O Amb2699116 [1,1,0,0,0,0|1,0,0]=3 2401 B8R0.5 C=CC[C@H](N)CC(=O)O Amb33726074 [1,1,0,0,0,0|1,0,0]=3 2402 B8R0.5 C=CC[C@H](O)CC(=O)O Amb28345940 [1,1,0,0,0,0|2,0,0]=4 2403 B8R0.5 CC(=O)CC(C)CC=O Amb28076874 [1,1,0,0,0,0|2,0,0]=4 2404 B8R0.5 CC(=O)CC(C)NC=O Amb24477804 [1,1,0,0,0,0|2,0,0]=4 2405 B8R0.5 CC(=O)C[C@H](C)CC=O Amb27265839 [1,1,0,0,0,0|2,0,0]=4 2406 B8R0.5 CC(CC(=O)O)N=C=O Amb33471303 [1,1,0,0,0,0|1,0,1]=4 2407 B8R0.5 CC(CC(=O)O)NC=O Amb18967805 [1,1,0,0,0,0|1,0,0]=3 2408 B8R0.5 CC(CCO)CC(=O)O Amb18642882 [1,1,0,0,0,0|1,0,1]=4 2409 B8R0.5 CCCC(N)CC(=O)O Amb1993864 [1,1,0,0,0,0|1,0,1]=4 2410 B8R0.5 CCC[C@@H](N)CC(=O)O Amb22225223 [1,1,0,0,0,0|1,0,1]=4 2411 B8R0.5 CCC[C@@H](N)CC(=O)O Amb24739278 [1,1,0,0,0,0|1,0,1]=4 2412 B8R0.5 CCC[C@H](N)CC(=O)O Amb22226359 [1,1,0,0,0,0|1,0,1]=4 2413 B8R0.5 CCC[C@H](N)CC(=O)O Amb27464904 [1,1,0,0,0,0|1,0,1]=4 2414 B8R0.5 CNC[C@H](N)CC(=O)O Amb27798881 [1,1,0,0,0,0|1,0,1]=4 2415 B8R0.5 COCC(C)CC(=O)O Amb19024342 [1,1,0,0,0,0|1,0,1]=4 2416 B8R0.5 COCC(N)CC(=O)O Amb26641146 [1,1,0,0,0,0|0,0,1]=3 2417 B8R0.5 COCC(N)CC(N)=O Amb33308419 [1,1,0,0,0,0|1,0,1]=4 2418 B8R0.5 COCC(O)CC(=O)O Amb18832518 [1,1,0,0,0,0|1,0,1]=4 2419 B8R0.5 COC[C@@H](O)CC(=O)O Amb33428853 [1,1,0,0,0,0|1,0,1]=4 2420 B8R0.5 COC[C@H](N)CC(=O)O Amb33038388 [1,1,0,0,0,0|0,0,1]=3 2421 B8R0.5 COC[C@H](N)CC(=O)O Amb33330661 [1,1,0,0,0,0|0,0,1]=3 2422 B8R0.5 COC[C@H](O)CC(=O)O Amb33428852 [1,1,0,0,0,0|1,0,1]=4 2423 B8R0.5 CONC(C)CC(=O)O Amb26844930 [1,1,0,0,0,0|2,0,0]=4 2424 B8R0.5 CO\C=C(\C)CC(=O)O Amb27410916 [1,1,0,0,0,0|1,0,1]=4 2425 B8R0.5 CPCC(N)CC(=O)O Amb27184896 [1,1,0,0,0,0|1,0,1]=4 2426 B8R0.5 CSCC(N)CC(=O)O Amb25960719 [1,1,0,0,0,0|0,1,1]=4 2427 B8R0.5 CSC[C@@H](N)CC(=O)O Amb27961000 [1,1,0,0,0,0|0,1,1]=4 2428 B8R0.5 C[C@H](CC(=O)O)N=C=O Amb33471360 [1,1,0,0,0,0|1,0,1]=4 2429 B8R0.5 C[C@H](CCO)CC(=O)O Amb27461411 [1,1,0,0,0,0|1,0,1]=4 2430 B8R0.5 C\C=C\C(N)CC(=O)O Amb25975538 [1,1,0,0,0,0|1,0,0]=3 2431 B8R0.5 C\C=C\C(N)CC(N)=O Amb24599388 [1,1,0,0,0,0|2,0,0]=4 2432 B8R0.5 C\C=C\C(O)CC(=O)O Amb8398291 [1,1,0,0,0,0|2,0,0]=4 2433 B8R0.5 C\C=C\[C@H](C)CC(=O)O Amb28047718 [1,1,0,0,0,0|2,0,0]=4 2434 B8R0.5 NC(CCF)CC(=O)O Amb33038391 [1,1,0,0,0,0|1,0,1]=4 2435 B8R0.5 NCCC(N)CC(=O)O Amb26043872 [1,1,0,0,0,0|1,0,1]=4 2436 B8R0.5 NCC[C@H](N)CC(=O)O Amb10067021 [1,1,0,0,0,0|1,0,1]=4 2437 B8R0.5 NCC[C@H](N)CC(=O)O Amb35750363 [1,1,0,0,0,0|1,0,1]=4 2438 B8R0.5 N[C@H](CCO)CC(=O)O Amb27169169 [1,1,0,0,0,0|0,0,1]=3 2439 B8R0.5 O=C(O)CC(O)CCO Amb31031042 [1,1,0,0,0,0|1,0,1]=4 2440 B8R0.5 O=C(O)CC(O)CNO Amb28044304 [1,1,0,0,0,0|1,0,1]=4 2441 B8R0.16 C=CC(C=C)CC(=O)O Amb18642422 [1,1,0,0,0,0|2,0,0]=4 2442 B8R0.16 C=CC(CC)CC(=O)O Amb18642661 [1,1,0,0,0,0|2,0,0]=4 2443 B8R0.16 C=C[C@@H](CC)CC(=O)O Amb27784737 [1,1,0,0,0,0|2,0,0]=4 2444 B8R0.16 CC(=O)CC(C=O)C=O Amb25767018 [1,1,0,0,0,0|2,0,0]=4 2445 B8R0.16 CCC(C=O)CC(C)=O Amb18642641 [1,1,0,0,0,0|2,0,0]=4 2446 B8R0.16 CCC(CN)CC(=O)O Amb20669457 [1,1,0,0,0,0|1,0,1]=4 2447 B8R0.16 CCC(CN)CC(=O)O Amb22059482 [1,1,0,0,0,0|1,0,1]=4 2448 B8R0.16 CCN(C=O)CC(=O)O Amb18972736 [1,1,0,0,0,0|2,0,0]=4 2449 B8R0.16 CC[C@H](C=O)CC(=O)[O-] Amb28198369 [1,1,0,0,0,0|1,0,1]=4 2450 B8R0.16 COC(CN)CC(=O)O Amb27806172 [1,1,0,0,0,0|2,0,0]=4 2451 B8R0.16 COC(CN)CC(=O)O Amb28555397 [1,1,0,0,0,0|2,0,0]=4 2452 B8R0.16 NCC(CF)CC(=O)O Amb27244579 [1,1,0,0,0,0|1,0,1]=4 2453 B8R0.16 NCC(CO)CC(=O)O Amb22546422 [1,1,0,0,0,0|0,0,1]=3 2454 B8R0.16 NC\C(=C/F)CC(=O)O Amb27960296 [1,1,0,0,0,0|1,0,1]=4 2455 B8R0.16 O=C(O)CC(CO)CCl Amb27468690 [1,1,0,0,0,0|1,0,1]=4 2456 B8R0.19 C#C[C@@H](N)CC(=O)OC Amb27393788 [1,1,0,0,0,0|1,0,1]=4 2457 B8R0.19 CCC(N)CC(=O)OC Amb18203185 [1,1,0,0,0,0|1,0,1]=4 2458 B8R0.19 CCC(N)CC(=O)OC Amb22264719 [1,1,0,0,0,0|1,0,1]=4 2459 B8R0.19 CC[C@@H](N)CC(=O)OC Amb20241226 [1,1,0,0,0,0|1,0,1]=4 2460 B8R0.19 CC[C@@H](N)CC(=O)OC Amb26016603 [1,1,0,0,0,0|1,0,1]=4 2461 B8R0.19 CC[C@H](N)CC(=O)OC Amb27411455 [1,1,0,0,0,0|1,0,1]=4 2462 B8R0.19 CC[C@H](N)CC(=O)OC Amb33457880 [1,1,0,0,0,0|1,0,1]=4 2463 B8R0.19 COC(=O)CC(C)C=O Amb18642765 [1,1,0,0,0,0|1,0,0]=3 2464 B8R0.19 COC(=O)CC(F)C=O Amb27173133 [1,1,0,0,0,0|1,0,0]=3 2465 B8R0.19 COC(=O)CC(N)CN Amb22264781 [1,1,0,0,0,0|1,0,1]=4 2466 B8R0.19 COC(=O)CC(O)CO Amb6600485 [1,1,0,0,0,0|1,0,1]=4 2467 B8R0.19 COC(=O)CN(C)C=O Amb21856175 [1,1,0,0,0,0|2,0,0]=4 2468 B8R0.19 COC(=O)C[C@@H](C)C=O Amb27863686 [1,1,0,0,0,0|1,0,0]=3 2469 B8R0.19 COC(=O)C[C@@H](C)CO Amb22747755 [1,1,0,0,0,0|1,0,1]=4 2470 B8R0.19 COC(=O)C[C@H](C)C=O Amb28366984 [1,1,0,0,0,0|1,0,0]=3 2471 B8R0.19 COC(=O)C[C@H](C)CO Amb27831499 [1,1,0,0,0,0|1,0,1]=4 2472 B8R0.19 COC(=O)C[C@H](O)CO Amb13883661 [1,1,0,0,0,0|1,0,1]=4 2473 B8R0.19 N\C(CC(=O)NO)=N/O Amb26021862 [1,1,0,0,0,0|1,0,1]=4 2474 B8R0.19 O=C(CO)CC(O)CO Amb26067178 [1,1,0,0,0,0|1,0,1]=4 2475 B8R0.19 O=CC(O)CC(=O)CO Amb28144194 [1,1,0,0,0,0|1,0,0]=3 2476 B8R0.19 O=C[C@H](O)CC(=O)CO Amb28121885 [1,1,0,0,0,0|1,0,0]=3 2477 B8R0.24 N[C@@H](CO)CS(=O)(=O)O Amb28118562 [1,1,0,0,0,0|1,0,1]=4 2478 B8R0.34 C=CC(C)(C)CC(=O)O Amb5718701 [1,1,0,0,0,0|2,0,0]=4 2479 B8R0.34 C=CC(C)(N)CC(=O)O Amb22641965 [1,1,0,0,0,0|1,0,0]=3 2480 B8R0.34 C=CC(C)(N)CC(=O)O Amb31307623 [1,1,0,0,0,0|1,0,0]=3 2481 B8R0.34 C=CC(C)(O)CC(=O)O Amb18642755 [1,1,0,0,0,0|2,0,0]=4 2482 B8R0.34 CC(=O)CC(C)(C)C=O Amb18642640 [1,1,0,0,0,0|2,0,0]=4 2483 B8R0.34 CC(C)(C=O)CC(=O)O Amb28401504 [1,1,0,0,0,0|1,0,0]=3 2484 B8R0.34 CC(C)(CC(=O)O)NO Amb27859691 [1,1,0,0,0,0|2,0,0]=4 2485 B8R0.34 CC(C)(CO)CC(=O)O Amb24116870 [1,1,0,0,0,0|1,0,1]=4 2486 B8R0.34 CC(N)(CCl)CC(=O)O Amb22641961 [1,1,0,0,0,0|1,0,1]=4 2487 B8R0.34 CC(N)(CN)CC(=O)O Amb32787831 [1,1,0,0,0,0|1,0,1]=4 2488 B8R0.34 CC(N)(CO)CC(=O)O Amb27162086 [1,1,0,0,0,0|0,0,1]=3 2489 B8R0.34 CCC(C)(N)CC(=O)O Amb25853863 [1,1,0,0,0,0|1,0,1]=4 2490 B8R0.34 CC[C@@](C)(N)CC(=O)O Amb25738026 [1,1,0,0,0,0|1,0,1]=4 2491 B8R0.3 C#CCC(N)C(=O)OC Amb24426865 [1,1,0,0,0,0|1,0,1]=4 2492 B8R0.3 C#CCC(N)C(=O)OC Amb32663324 [1,1,0,0,0,0|1,0,1]=4 2493 B8R0.3 C#CC[C@@H](N)C(=O)OC Amb26919399 [1,1,0,0,0,0|1,0,1]=4 2494 B8R0.3 C#CC[C@H](N)C(=O)OC Amb22746034 [1,1,0,0,0,0|1,0,1]=4 2495 B8R0.3 C#CC[C@H](N)C(=O)OC Amb27870421 [1,1,0,0,0,0|1,0,1]=4 2496 B8R0.3 C=CCC(C)C(=O)OC Amb27787724 [1,1,0,0,0,0|2,0,0]=4 2497 B8R0.3 C=CCC(Cl)C(=O)OC Amb25365264 [1,1,0,0,0,0|2,0,0]=4 2498 B8R0.3 C=CCC(N)C(=O)NO Amb28322025 [1,1,0,0,0,0|1,0,0]=3 2499 B8R0.3 C=CCC(N)C(=O)OC Amb18642703 [1,1,0,0,0,0|1,0,0]=3 2500 B8R0.3 C=CCC(N)C(=O)OC Amb22757544 [1,1,0,0,0,0|1,0,0]=3 2501 B8R0.3 C=CCC(O)C(=O)OC Amb28435077 [1,1,0,0,0,0|2,0,0]=4 2502 B8R0.3 C=CC[C@@H](N)C(=O)OC Amb24635550 [1,1,0,0,0,0|1,0,0]=3 2503 B8R0.3 C=CC[C@@H](N)C(=O)OC Amb33868785 [1,1,0,0,0,0|1,0,0]=3 2504 B8R0.3 C=CC[C@H](N)C(=O)OC Amb22750599 [1,1,0,0,0,0|1,0,0]=3 2505 B8R0.3 C=CC[C@H](N)C(=O)OC Amb24120340 [1,1,0,0,0,0|1,0,0]=3 2506 B8R0.3 CCCC(N)C(=O)NO Amb22059373 [1,1,0,0,0,0|1,0,1]=4 2507 B8R0.3 CCCC(N)C(=O)OC Amb2786376 [1,1,0,0,0,0|1,0,1]=4 2508 B8R0.3 CCCC(N)C(=O)OC Amb33549293 [1,1,0,0,0,0|1,0,1]=4 2509 B8R0.3 CCC[C@@H](N)C(=O)NO Amb28314574 [1,1,0,0,0,0|1,0,1]=4 2510 B8R0.3 CCC[C@@H](N)C(=O)OC Amb25146086 [1,1,0,0,0,0|1,0,1]=4 2511 B8R0.3 CCC[C@@H](N)C(=O)OC Amb30526950 [1,1,0,0,0,0|1,0,1]=4 2512 B8R0.3 CCC[C@H](N)C(=O)OC Amb10844887 [1,1,0,0,0,0|1,0,1]=4 2513 B8R0.3 CCC[C@H](N)C(=O)OC Amb17942871 [1,1,0,0,0,0|1,0,1]=4 2514 B8R0.3 CNCC(N)C(=O)OC Amb27758128 [1,1,0,0,0,0|2,0,0]=4 2515 B8R0.3 COC(=O)C(=O)CC=O Amb26620730 [1,1,0,0,0,0|1,0,1]=4 2516 B8R0.3 COC(=O)C(C)CC=O Amb18642746 [1,1,0,0,0,0|1,0,0]=3 2517 B8R0.3 COC(=O)C(N)CC#N Amb26573884 [1,1,0,0,0,0|1,0,1]=4 2518 B8R0.3 COC(=O)C(N)CCBr Amb2695255 [1,1,0,0,0,0|1,0,1]=4 2519 B8R0.3 COC(=O)C(N)CCBr Amb4296941 [1,1,0,0,0,0|1,0,1]=4 2520 B8R0.3 COC(=O)C(N)CCCl Amb27855259 [1,1,0,0,0,0|1,0,1]=4 2521 B8R0.3 COC(=O)C(N)CCF Amb25066743 [1,1,0,0,0,0|1,0,1]=4 2522 B8R0.3 COC(=O)C(N)CCN Amb24113143 [1,1,0,0,0,0|1,0,1]=4 2523 B8R0.3 COC(=O)C(N)CCN Amb25733368 [1,1,0,0,0,0|1,0,1]=4 2524 B8R0.3 COC(=O)C(N)CCO Amb18305497 [1,1,0,0,0,0|0,0,1]=3 2525 B8R0.3 COC(=O)C(N)CON Amb27451370 [1,1,0,0,0,0|2,0,0]=4 2526 B8R0.3 COC(=O)C(N)CON Amb33329476 [1,1,0,0,0,0|2,0,0]=4 2527 B8R0.3 COC(=O)C(N)CSC Amb19878256 [1,1,0,0,0,0|2,0,0]=4 2528 B8R0.3 COC(=O)C(N)CSC Amb22052594 [1,1,0,0,0,0|2,0,0]=4 2529 B8R0.3 COC(=O)N(C)CC=O Amb25216418 [1,1,0,0,0,0|2,0,0]=4 2530 B8R0.3 COC(=O)[C@@H](C)NC=O Amb25716179 [1,1,0,0,0,0|2,0,0]=4 2531 B8R0.3 COC(=O)[C@@H](N)CCBr Amb2695271 [1,1,0,0,0,0|1,0,1]=4 2532 B8R0.3 COC(=O)[C@@H](N)CCBr Amb4296950 [1,1,0,0,0,0|1,0,1]=4 2533 B8R0.3 COC(=O)[C@@H](N)CCI Amb27806573 [1,1,0,0,0,0|1,0,1]=4 2534 B8R0.3 COC(=O)[C@@H](N)CCN Amb25727598 [1,1,0,0,0,0|1,0,1]=4 2535 B8R0.3 COC(=O)[C@@H](N)CCN Amb32658006 [1,1,0,0,0,0|1,0,1]=4 2536 B8R0.3 COC(=O)[C@@H](N)CCO Amb24746756 [1,1,0,0,0,0|0,0,1]=3 2537 B8R0.3 COC(=O)[C@@H](N)CSC Amb15701265 [1,1,0,0,0,0|2,0,0]=4 2538 B8R0.3 COC(=O)[C@@H](N)CSC Amb17322841 [1,1,0,0,0,0|2,0,0]=4 2539 B8R0.3 COC(=O)[C@@H](O)CCO Amb27406740 [1,1,0,0,0,0|1,0,1]=4 2540 B8R0.3 COC(=O)[C@H](C)CC=O Amb28388611 [1,1,0,0,0,0|1,0,0]=3 2541 B8R0.3 COC(=O)[C@H](C)CCO Amb28134520 [1,1,0,0,0,0|1,0,1]=4 2542 B8R0.3 COC(=O)[C@H](C)NC=O Amb24476955 [1,1,0,0,0,0|2,0,0]=4 2543 B8R0.3 COC(=O)[C@H](N)CCBr Amb2695267 [1,1,0,0,0,0|1,0,1]=4 2544 B8R0.3 COC(=O)[C@H](N)CCO Amb26475851 [1,1,0,0,0,0|0,0,1]=3 2545 B8R0.3 COC(=O)[C@H](N)CON Amb27949646 [1,1,0,0,0,0|2,0,0]=4 2546 B8R0.3 COC(=O)[C@H](N)CSC Amb27788444 [1,1,0,0,0,0|2,0,0]=4 2547 B8R0.3 COC(=O)[C@H](O)CCO Amb28315513 [1,1,0,0,0,0|1,0,1]=4 2548 B8R0.3 COCC(N)C(=O)NO Amb27838499 [1,1,0,0,0,0|2,0,0]=4 2549 B8R0.3 COCC(N)C(=O)OC Amb23454660 [1,1,0,0,0,0|2,0,0]=4 2550 B8R0.3 COCC(N)C(=O)OC Amb32941874 [1,1,0,0,0,0|2,0,0]=4 2551 B8R0.3 COC[C@@H](N)C(=O)OC Amb33871640 [1,1,0,0,0,0|2,0,0]=4 2552 B8R0.3 COC[C@H](N)C(=O)OC Amb27882809 [1,1,0,0,0,0|2,0,0]=4 2553 B8R0.3 NC(CCO)C(O)C=O Amb28123154 [1,1,0,0,0,0|0,0,2]=4 2554 B8R0.8 C#CCCC(N)C(=O)O Amb6277526 [1,1,0,0,0,0|1,0,1]=4 2555 B8R0.8 C#CCC[C@@H](N)C(=O)O Amb24088809 [1,1,0,0,0,0|1,0,1]=4 2556 B8R0.8 C#CCC[C@H](N)C(=O)O Amb24088866 [1,1,0,0,0,0|1,0,1]=4 2557 B8R0.8 C#CCC[C@H](N)C(=O)O Amb33744060 [1,1,0,0,0,0|1,0,1]=4 2558 B8R0.8 C=C=CCC(N)C(=O)O Amb25843448 [1,1,0,0,0,0|1,0,0]=3 2559 B8R0.8 C=C=CC[C@@H](N)C(=O)O Amb28070890 [1,1,0,0,0,0|1,0,0]=3 2560 B8R0.8 C=C=CC[C@@H](N)C(N)=O Amb27623437 [1,1,0,0,0,0|2,0,0]=4 2561 B8R0.8 C=CCCC(Br)C(=O)O Amb28047448 [1,1,0,0,0,0|2,0,0]=4 2562 B8R0.8 C=CCCC(C)C(=O)O Amb18642656 [1,1,0,0,0,0|2,0,0]=4 2563 B8R0.8 C=CCCC(N)C(=O)O Amb24383848 [1,1,0,0,0,0|1,0,0]=3 2564 B8R0.8 C=CCCC(N)C(=O)O Amb28934988 [1,1,0,0,0,0|1,0,0]=3 2565 B8R0.8 C=CCCC(N)C(N)=O Amb24333721 [1,1,0,0,0,0|2,0,0]=4 2566 B8R0.8 C=CCC[C@@H](N)C(=O)O Amb23439045 [1,1,0,0,0,0|1,0,0]=3 2567 B8R0.8 C=CCC[C@@H](N)C(N)=O Amb27168705 [1,1,0,0,0,0|2,0,0]=4 2568 B8R0.8 C=CCC[C@H](N)C(=O)O Amb28285244 [1,1,0,0,0,0|1,0,0]=3 2569 B8R0.8 C=CCC[C@H](O)C(=O)O Amb28122952 [1,1,0,0,0,0|2,0,0]=4 2570 B8R0.8 C=CCNC(C)C(=O)O Amb9326762 [1,1,0,0,0,0|2,0,0]=4 2571 B8R0.8 C=CCOC(C)C(=O)O Amb9208699 [1,1,0,0,0,0|2,0,0]=4 2572 B8R0.8 C=CCSC(C)C(=O)O Amb6273705 [1,1,0,0,0,0|2,0,0]=4 2573 B8R0.8 C=CSCC(N)C(=O)O Amb28321669 [1,1,0,0,0,0|1,0,0]=3 2574 B8R0.8 C=C\C=C\[C@H](N)C(=O)O Amb28324791 [1,1,0,0,0,0|1,0,1]=4 2575 B8R0.8 CC#CCC(N)C(=O)O Amb18988250 [1,1,0,0,0,0|1,0,1]=4 2576 B8R0.8 CC#CCC(N)C(=O)O Amb33551077 [1,1,0,0,0,0|1,0,1]=4 2577 B8R0.8 CC#CC[C@@H](N)C(=O)O Amb22746783 [1,1,0,0,0,0|1,0,1]=4 2578 B8R0.8 CC#CC[C@H](N)C(=O)O Amb27815040 [1,1,0,0,0,0|1,0,1]=4 2579 B8R0.8 CC(=O)C(O)CCC=O Amb25965289 [1,1,0,0,0,0|2,0,0]=4 2580 B8R0.8 CC(=O)[C@@H](N)CCCO Amb27835141 [1,1,0,0,0,0|1,0,1]=4 2581 B8R0.8 CC(CN=C=O)C(=O)O Amb33471309 [1,1,0,0,0,0|1,0,1]=4 2582 B8R0.8 CC(C\C=N\O)C(=O)O Amb27217284 [1,1,0,0,0,0|1,0,0]=3 2583 B8R0.8 CC(OCCO)C(=O)O Amb6680915 [1,1,0,0,0,0|1,0,1]=4 2584 B8R0.8 CCCCC(N)C(=O)O Amb4134813 [1,1,0,0,0,0|1,0,1]=4 2585 B8R0.8 CCCC[C@@H](N)C(=O)O Amb1995006 [1,1,0,0,0,0|1,0,1]=4 2586 B8R0.8 CCCC[C@H](N)C(=O)O Amb1995007 [1,1,0,0,0,0|1,0,1]=4 2587 B8R0.8 CCCSC(N)C(=O)O Amb27865736 [1,1,0,0,0,0|1,0,1]=4 2588 B8R0.8 CCOCC(N)C(=O)O Amb28048685 [1,1,0,0,0,0|1,0,1]=4 2589 B8R0.8 CCOCC(N)C(=O)O Amb33542705 [1,1,0,0,0,0|1,0,1]=4 2590 B8R0.8 CCOC[C@@H](N)C(=O)O Amb25889733 [1,1,0,0,0,0|1,0,1]=4 2591 B8R0.8 CCOC[C@@H](N)C(=O)O Amb30585227 [1,1,0,0,0,0|1,0,1]=4 2592 B8R0.8 CCOC[C@H](N)C(=O)O Amb22737184 [1,1,0,0,0,0|1,0,1]=4 2593 B8R0.8 CCOC[C@H](N)C(=O)O Amb24478577 [1,1,0,0,0,0|1,0,1]=4 2594 B8R0.8 CCSCC(N)C(=O)O Amb6257004 [1,1,0,0,0,0|1,0,1]=4 2595 B8R0.8 CC\C=C\C(N)C(=O)O Amb33449874 [1,1,0,0,0,0|1,0,1]=4 2596 B8R0.8 CC\C=C\[C@@H](N)C(=O)O Amb27239476 [1,1,0,0,0,0|1,0,1]=4 2597 B8R0.8 COCCC(C)C(=O)O Amb18523823 [1,1,0,0,0,0|1,0,1]=4 2598 B8R0.8 COCCC(Cl)C(=O)O Amb27424361 [1,1,0,0,0,0|1,0,1]=4 2599 B8R0.8 COCCC(N)C(=O)O Amb32675454 [1,1,0,0,0,0|0,0,1]=3 2600 B8R0.8 COCCC(N)C(=O)O Amb6281324 [1,1,0,0,0,0|0,0,1]=3 2601 B8R0.8 COCCC(N)C(N)=O Amb18311365 [1,1,0,0,0,0|1,0,1]=4 2602 B8R0.8 COCCC(N)C(N)=O Amb32712112 [1,1,0,0,0,0|1,0,1]=4 2603 B8R0.8 COCCC(O)C(=O)O Amb27647966 [1,1,0,0,0,0|1,0,1]=4 2604 B8R0.8 COCC[C@@H](N)C(=O)O Amb16183870 [1,1,0,0,0,0|0,0,1]=3 2605 B8R0.8 COCC[C@H](N)C(=O)O Amb16183872 [1,1,0,0,0,0|0,0,1]=3 2606 B8R0.8 COCC[C@H](N)C(=O)O Amb24054991 [1,1,0,0,0,0|0,0,1]=3 2607 B8R0.8 CONCC(N)C(N)=O Amb27216151 [1,1,0,0,0,0|2,0,0]=4 2608 B8R0.8 CO\C=C\[C@@H](N)C(=O)O Amb27427471 [1,1,0,0,0,0|0,0,1]=3 2609 B8R0.8 CPOC[C@H](N)C(=O)O Amb27424475 [1,1,0,0,0,0|2,0,0]=4 2610 B8R0.8 CSCCC(N)C(=O)O Amb9703095 [1,1,0,0,0,0|0,1,1]=4 2611 B8R0.8 CSCC[C@@H](N)C(=O)O Amb2720567 [1,1,0,0,0,0|0,1,1]=4 2612 B8R0.8 CSCC[C@H](N)C(=O)O Amb5720611 [1,1,0,0,0,0|0,1,1]=4 2613 B8R0.8 CSCOC(N)C(=O)O Amb27634144 [1,1,0,0,0,0|2,0,0]=4 2614 B8R0.8 CSCO[C@H](N)C(=O)O Amb28183053 [1,1,0,0,0,0|2,0,0]=4 2615 B8R0.8 CSOCC(N)C(=O)O Amb28285144 [1,1,0,0,0,0|1,1,0]=4 2616 B8R0.8 CSSC[C@@H](N)C(=O)O Amb28381312 [1,1,0,0,0,0|1,1,0]=4 2617 B8R0.8 CSSC[C@H](N)C(=O)O Amb28118786 [1,1,0,0,0,0|1,1,0]=4 2618 B8R0.8 CS\C=C/[C@H](N)C(=O)O Amb26006745 [1,1,0,0,0,0|0,1,1]=4 2619 B8R0.8 CS\C=C\C(N)C(=O)O Amb27759361 [1,1,0,0,0,0|0,1,1]=4 2620 B8R0.8 C[C@@H](NCCO)C(=O)O Amb26885478 [1,1,0,0,0,0|1,0,1]=4 2621 B8R0.8 C[C@@H](OCCO)C(=O)O Amb28318043 [1,1,0,0,0,0|1,0,1]=4 2622 B8R0.8 C[C@H](NCCO)C(=O)O Amb28058421 [1,1,0,0,0,0|1,0,1]=4 2623 B8R0.8 C[C@H](OCCO)C(=O)O Amb27398048 [1,1,0,0,0,0|1,0,1]=4 2624 B8R0.8 C[Se]CCC(N)C(=O)O Amb8514803 [1,1,0,0,0,0|0,1,1]=4 2625 B8R0.8 C[Se]CC[C@@H](N)C(=O)O Amb31031165 [1,1,0,0,0,0|0,1,1]=4 2626 B8R0.8 C[Se]CC[C@H](N)C(=O)O Amb8514895 [1,1,0,0,0,0|0,1,1]=4 2627 B8R0.8 C\C=C\CC(C)C(=O)O Amb18642630 [1,1,0,0,0,0|2,0,0]=4 2628 B8R0.8 C\C=C\CC(F)C(=O)O Amb27959670 [1,1,0,0,0,0|2,0,0]=4 2629 B8R0.8 C\C=C\CC(N)C(=O)O Amb6256663 [1,1,0,0,0,0|1,0,0]=3 2630 B8R0.8 C\C=C\CC(N)C(N)=O Amb26904386 [1,1,0,0,0,0|2,0,0]=4 2631 B8R0.8 C\C=C\C[C@@H](N)C(=O)O Amb33065673 [1,1,0,0,0,0|1,0,0]=3 2632 B8R0.8 C\C=C\C[C@H](C)C(=O)O Amb28368854 [1,1,0,0,0,0|2,0,0]=4 2633 B8R0.8 C\C=C\C[C@H](N)C(=O)O Amb27768785 [1,1,0,0,0,0|1,0,0]=3 2634 B8R0.8 N#CCCC(N)C(=O)O Amb18642589 [1,1,0,0,0,0|1,0,1]=4 2635 B8R0.8 N#CCC[C@@H](N)C(=O)O Amb25063958 [1,1,0,0,0,0|1,0,1]=4 2636 B8R0.8 N#CCC[C@H](N)C(=O)O Amb16183912 [1,1,0,0,0,0|1,0,1]=4 2637 B8R0.8 N#CSCC(N)C(=O)O Amb17593655 [1,1,0,0,0,0|1,0,1]=4 2638 B8R0.8 NC(=O)C(N)CCCO Amb33066182 [1,1,0,0,0,0|1,0,1]=4 2639 B8R0.8 NC(=O)C(N)C\C=C\Cl Amb27860856 [1,1,0,0,0,0|2,0,0]=4 2640 B8R0.8 NC(=O)C(O)CNC=O Amb27784034 [1,1,0,0,0,0|2,0,0]=4 2641 B8R0.8 NC(CCCBr)C(=O)O Amb24480263 [1,1,0,0,0,0|1,0,1]=4 2642 B8R0.8 NC(CCCF)C(=O)O Amb25366994 [1,1,0,0,0,0|1,0,1]=4 2643 B8R0.8 NC(CCCO)C(=O)O Amb18642915 [1,1,0,0,0,0|0,0,1]=3 2644 B8R0.8 NC(CCCO)C(=O)O Amb22900028 [1,1,0,0,0,0|0,0,1]=3 2645 B8R0.8 NC(CCCS)C(=O)O Amb27947968 [1,1,0,0,0,0|0,1,1]=4 2646 B8R0.8 NC(CCNO)C(=O)O Amb28285114 [1,1,0,0,0,0|0,0,1]=3 2647 B8R0.8 NC(CN=C=S)C(=O)O Amb28281778 [1,1,0,0,0,0|0,1,1]=4 2648 B8R0.8 NC(C\C=C\Br)C(=O)O Amb27607572 [1,1,0,0,0,0|1,0,0]=3 2649 B8R0.8 NC(C\C=C\Cl)C(=O)O Amb33037023 [1,1,0,0,0,0|1,0,0]=3 2650 B8R0.8 NCCCC(N)C(=O)O Amb22489477 [1,1,0,0,0,0|1,0,1]=4 2651 B8R0.8 NCCCC(N)C(=O)O Amb4006442 [1,1,0,0,0,0|1,0,1]=4 2652 B8R0.8 NCCCC(N)C(=O)O Amb9173756 [1,1,0,0,0,0|1,0,1]=4 2653 B8R0.8 NCCC[C@@H](N)C(=O)O Amb32411789 [1,1,0,0,0,0|1,0,1]=4 2654 B8R0.8 NCCC[C@@H](N)C(=O)O Amb6600152 [1,1,0,0,0,0|1,0,1]=4 2655 B8R0.8 NCCC[C@@H](N)C(=O)O Amb8390415 [1,1,0,0,0,0|1,0,1]=4 2656 B8R0.8 NCCC[C@H](N)C(=O)O Amb20240598 [1,1,0,0,0,0|1,0,1]=4 2657 B8R0.8 NCCC[C@H](N)C(=O)O Amb22746434 [1,1,0,0,0,0|1,0,1]=4 2658 B8R0.8 NCCC[C@H](N)C(=O)O Amb8513279 [1,1,0,0,0,0|1,0,1]=4 2659 B8R0.8 NCCC[C@H](N)C(=O)O Amb8627869 [1,1,0,0,0,0|1,0,1]=4 2660 B8R0.8 NCOCC(N)C(=O)O Amb27429950 [1,1,0,0,0,0|1,0,1]=4 2661 B8R0.8 NCOC[C@@H](N)C(=O)O Amb27233969 [1,1,0,0,0,0|1,0,1]=4 2662 B8R0.8 NC\C=C\[C@H](N)C(=O)O Amb24580033 [1,1,0,0,0,0|1,0,1]=4 2663 B8R0.8 NOCCC(N)C(=O)O Amb17593409 [1,1,0,0,0,0|0,0,1]=3 2664 B8R0.8 NOCCC(N)C(=O)O Amb21858490 [1,1,0,0,0,0|0,0,1]=3 2665 B8R0.8 NOCC[C@H](N)C(=O)O Amb26346874 [1,1,0,0,0,0|0,0,1]=3 2666 B8R0.8 NOCC[C@H](N)C(=O)O Amb33038084 [1,1,0,0,0,0|0,0,1]=3 2667 B8R0.8 N[C@@H](CCCCl)C(=O)O Amb27227989 [1,1,0,0,0,0|1,0,1]=4 2668 B8R0.8 N[C@@H](CCCF)C(=O)O Amb27223043 [1,1,0,0,0,0|1,0,1]=4 2669 B8R0.8 N[C@@H](CCCO)C(=O)O Amb16183887 [1,1,0,0,0,0|0,0,1]=3 2670 B8R0.8 N[C@@H](CCNO)C(=O)O Amb24117852 [1,1,0,0,0,0|0,0,1]=3 2671 B8R0.8 N[C@@H](CSCO)C(=O)O Amb27470985 [1,1,0,0,0,0|0,0,1]=3 2672 B8R0.8 N[C@@H](CSN=O)C(=O)O Amb28182982 [1,1,0,0,0,0|1,0,0]=3 2673 B8R0.8 N[C@@H](C\C=C\Cl)C(=O)O Amb33065741 [1,1,0,0,0,0|1,0,0]=3 2674 B8R0.8 N[C@H](CCCBr)C(=O)O Amb26080278 [1,1,0,0,0,0|1,0,1]=4 2675 B8R0.8 N[C@H](CCCF)C(=O)O Amb26908418 [1,1,0,0,0,0|1,0,1]=4 2676 B8R0.8 N[C@H](CCCO)C(=O)O Amb28120579 [1,1,0,0,0,0|0,0,1]=3 2677 B8R0.8 N[C@H](CCCO)C(=O)O Amb34913429 [1,1,0,0,0,0|0,0,1]=3 2678 B8R0.8 N[C@H](CSN=O)C(=O)O Amb27845439 [1,1,0,0,0,0|1,0,0]=3 2679 B8R0.8 N[C@H](C\C=C\Cl)C(=O)O Amb33309034 [1,1,0,0,0,0|1,0,0]=3 2680 B8R0.8 O=C(O)C(Br)CCCO Amb28313364 [1,1,0,0,0,0|1,0,1]=4 2681 B8R0.8 O=C(O)C(O)CCCO Amb18642939 [1,1,0,0,0,0|1,0,1]=4 2682 B8R0.8 O=C=NC[C@@H](F)C(=O)O Amb33037069 [1,1,0,0,0,0|1,0,1]=4 2683 B8R0.8 O=CCCC(=O)C(=O)O Amb27882544 [1,1,0,0,0,0|1,0,1]=4 2684 B8R0.8 O=CCCC(=O)C(=O)O Amb32670694 [1,1,0,0,0,0|1,0,1]=4 2685 B8R0.8 O=CNC[C@@H](O)C(=O)O Amb27637039 [1,1,0,0,0,0|1,0,0]=3 2686 B8R0.8 O=COCC(Cl)C(=O)O Amb27477082 [1,1,0,0,0,0|1,0,0]=3 2687 B8R0.8 [N-]=[N+]=NCC(N)C(=O)O Amb28342834 [1,1,0,0,0,0|2,0,0]=4 2688 B8R0.8 [N-]=[N+]=NCC(N)C(=O)O Amb35752605 [1,1,0,0,0,0|2,0,0]=4 2689 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O Amb26007532 [1,1,0,0,0,0|2,0,0]=4 2690 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O Amb33734276 [1,1,0,0,0,0|2,0,0]=4 2691 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O Amb25072668 [1,1,0,0,0,0|2,0,0]=4 2692 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O Amb30586485 [1,1,0,0,0,0|2,0,0]=4 2693 B8R0.12 C#CC[C@](C)(N)C(=O)O Amb16183909 [1,1,0,0,0,0|1,0,1]=4 2694 B8R0.12 C=CCC(C)(C)C(=O)O Amb10603495 [1,1,0,0,0,0|2,0,0]=4 2695 B8R0.12 C=CCC(C)(N)[PH](=O)O Amb27595680 [1,1,0,0,0,0|2,0,0]=4 2696 B8R0.12 C=CCC(F)(F)C(=O)O Amb10982503 [1,1,0,0,0,0|2,0,0]=4 2697 B8R0.12 C=CC[C@@](C)(N)C(=O)O Amb8389450 [1,1,0,0,0,0|1,0,0]=3 2698 B8R0.12 C=CC[C@@](C)(N)C(N)=O Amb27851367 [1,1,0,0,0,0|2,0,0]=4 2699 B8R0.12 C=CC[C@@](C)(O)C(=O)O Amb27412350 [1,1,0,0,0,0|2,0,0]=4 2700 B8R0.12 C=CC[C@](C)(N)C(=O)O Amb8514992 [1,1,0,0,0,0|1,0,0]=3 2701 B8R0.12 C=CC[C@](C)(O)C(=O)O Amb27958223 [1,1,0,0,0,0|2,0,0]=4 2702 B8R0.12 CC(C)(CC=O)C(N)=O Amb28437049 [1,1,0,0,0,0|2,0,0]=4 2703 B8R0.12 CC(C)(CCO)C(=O)O Amb24763728 [1,1,0,0,0,0|1,0,1]=4 2704 B8R0.12 CC(C)(NC=O)C(=O)O Amb18281022 [1,1,0,0,0,0|2,0,0]=4 2705 B8R0.12 CC(N)(CCF)C(=O)O Amb27961476 [1,1,0,0,0,0|1,0,1]=4 2706 B8R0.12 CC(N)(CCF)C(=O)O Amb28934998 [1,1,0,0,0,0|1,0,1]=4 2707 B8R0.12 CC(N)(CCO)C(N)=O Amb30013972 [1,1,0,0,0,0|1,0,1]=4 2708 B8R0.12 CCCC(C)(N)C(=O)O Amb9720287 [1,1,0,0,0,0|1,0,1]=4 2709 B8R0.12 CCC[C@@](C)(N)C(=O)O Amb2699127 [1,1,0,0,0,0|1,0,1]=4 2710 B8R0.12 CCC[C@](C)(N)C(=O)O Amb16232632 [1,1,0,0,0,0|1,0,1]=4 2711 B8R0.12 CNC[C@@](C)(N)C(=O)O Amb27975719 [1,1,0,0,0,0|2,0,0]=4 2712 B8R0.12 CNC[C@](C)(N)C(=O)O Amb25882845 [1,1,0,0,0,0|2,0,0]=4 2713 B8R0.12 COCC(C)(N)C(=O)O Amb18990135 [1,1,0,0,0,0|2,0,0]=4 2714 B8R0.12 COCC(C)(N)C(=O)O Amb20622455 [1,1,0,0,0,0|2,0,0]=4 2715 B8R0.12 COC[C@](C)(N)C(=O)O Amb24568285 [1,1,0,0,0,0|2,0,0]=4 2716 B8R0.12 CSCC(C)(N)C(=O)O Amb18294541 [1,1,0,0,0,0|2,0,0]=4 2717 B8R0.12 C[C@@](N)(CCO)C(=O)O Amb28048736 [1,1,0,0,0,0|0,0,1]=3 2718 B8R0.12 C[C@](N)(CCN)C(=O)O Amb25348479 [1,1,0,0,0,0|1,0,1]=4 2719 B8R0.12 C[C@](O)(NC=O)C(=O)O Amb27628573 [1,1,0,0,0,0|2,0,0]=4 2720 B8R0.12 C\C=C\C(C)(N)C(=O)O Amb24671255 [1,1,0,0,0,0|1,0,1]=4 2721 B8R0.12 O=C(O)C(F)(F)CNO Amb33170566 [1,1,0,0,0,0|2,0,0]=4 2722 B8R0.14 N[C@@H](CCO)P(=O)(O)O Amb27424703 [1,1,0,0,0,0|1,0,1]=4 2723 B8R0.15 C=CCC(C#N)C(=O)O Amb27657209 [1,1,0,0,0,0|1,0,1]=4 2724 B8R0.15 C=CCC(C=O)C(=O)O Amb28313315 [1,1,0,0,0,0|2,0,0]=4 2725 B8R0.15 C=CCC(CC)C(=O)O Amb18642632 [1,1,0,0,0,0|2,0,0]=4 2726 B8R0.15 C=CCC(NO)C(=O)O Amb27768789 [1,1,0,0,0,0|1,0,0]=3 2727 B8R0.15 C=CC[C@@H](C=C)C(=O)O Amb28285259 [1,1,0,0,0,0|2,0,0]=4 2728 B8R0.15 CCC(CCO)C(=O)O Amb18642884 [1,1,0,0,0,0|1,0,1]=4 2729 B8R0.15 CCC(NC=O)C(=O)O Amb4016839 [1,1,0,0,0,0|2,0,0]=4 2730 B8R0.15 CCCC(CN)C(=O)O Amb19373497 [1,1,0,0,0,0|1,0,1]=4 2731 B8R0.15 CCCC(NC)C(=O)O Amb21961534 [1,1,0,0,0,0|1,0,1]=4 2732 B8R0.15 CCCC(NC)C(=O)O Amb22587444 [1,1,0,0,0,0|1,0,1]=4 2733 B8R0.15 CCCC(NC)C(=O)O Amb9496293 [1,1,0,0,0,0|1,0,1]=4 2734 B8R0.15 CCCC(NO)C(=O)O Amb22372057 [1,1,0,0,0,0|1,0,1]=4 2735 B8R0.15 CCC[C@@H](NC)C(=O)O Amb25771939 [1,1,0,0,0,0|1,0,1]=4 2736 B8R0.15 CCC[C@@H](NC)C(=O)O Amb33801471 [1,1,0,0,0,0|1,0,1]=4 2737 B8R0.15 CCC[C@H](CN)C(=O)O Amb27460612 [1,1,0,0,0,0|1,0,1]=4 2738 B8R0.15 CCC[C@H](NC)C(=O)O Amb25062610 [1,1,0,0,0,0|1,0,1]=4 2739 B8R0.15 CCC[C@H](NC)C(=O)O Amb33456398 [1,1,0,0,0,0|1,0,1]=4 2740 B8R0.15 CNC(CCO)C(=O)O Amb27390592 [1,1,0,0,0,0|0,0,1]=3 2741 B8R0.15 CNC(COC)C(=O)O Amb19304133 [1,1,0,0,0,0|2,0,0]=4 2742 B8R0.15 CNC(COC)C(=O)O Amb22059040 [1,1,0,0,0,0|2,0,0]=4 2743 B8R0.15 CN[C@H](COC)C(=O)O Amb33347473 [1,1,0,0,0,0|2,0,0]=4 2744 B8R0.15 COCC(CN)C(=O)O Amb27219429 [1,1,0,0,0,0|2,0,0]=4 2745 B8R0.15 COCC(NO)C(=O)O Amb27247213 [1,1,0,0,0,0|2,0,0]=4 2746 B8R0.15 COCC(ON)C(=O)O Amb27251693 [1,1,0,0,0,0|2,0,0]=4 2747 B8R0.15 COCC(ON)C(=O)O Amb32670944 [1,1,0,0,0,0|2,0,0]=4 2748 B8R0.15 CSCC(CN)C(=O)O Amb33272062 [1,1,0,0,0,0|2,0,0]=4 2749 B8R0.15 N#CC(CCO)C(=O)O Amb35741464 [1,1,0,0,0,0|0,0,2]=4 2750 B8R0.15 N#CC(NC=O)C(=O)O Amb27444484 [1,1,0,0,0,0|1,0,1]=4 2751 B8R0.15 NCC(CCF)C(=O)O Amb33196465 [1,1,0,0,0,0|1,0,1]=4 2752 B8R0.15 O=CNC(CO)C(=O)O Amb18290435 [1,1,0,0,0,0|2,0,0]=4 2753 B8R0.15 O=CNC(CS)C(=O)O Amb20093366 [1,1,0,0,0,0|2,0,0]=4 2754 B8R0.15 O=CN[C@H](CO)C(=O)O Amb28248397 [1,1,0,0,0,0|2,0,0]=4 2755 B8R0.9 BO\C(O)=C/CC(=O)O Amb27797365 [1,1,0,0,0,0|0,0,2]=4 2756 B8R0.9 C#CC(=C)CCC(=O)O Amb27655639 [1,1,0,0,0,0|2,0,0]=4 2757 B8R0.9 C#CC(=O)NCC(=O)O Amb6270091 [1,1,0,0,0,0|2,0,0]=4 2758 B8R0.9 C=C(C=O)CCC(=O)O Amb27655564 [1,1,0,0,0,0|1,0,0]=3 2759 B8R0.9 C=CC(=C)CCC(=O)O Amb18642412 [1,1,0,0,0,0|2,0,0]=4 2760 B8R0.9 C=CC(=O)NCC(=O)O Amb33532656 [1,1,0,0,0,0|2,0,0]=4 2761 B8R0.9 C=CC(=O)OCC(=O)O Amb27241348 [1,1,0,0,0,0|2,0,0]=4 2762 B8R0.9 C=CC(=O)SCC(=O)O Amb27755823 [1,1,0,0,0,0|2,0,0]=4 2763 B8R0.9 C=CC(O)CCC(=O)O Amb25785193 [1,1,0,0,0,0|1,0,1]=4 2764 B8R0.9 C=C[C@H](O)CCC(=O)O Amb27168215 [1,1,0,0,0,0|1,0,1]=4 2765 B8R0.9 CC(=O)CCC(=O)NN Amb25793418 [1,1,0,0,0,0|2,0,0]=4 2766 B8R0.9 CC(=O)CCC(=O)NO Amb26971070 [1,1,0,0,0,0|1,0,0]=3 2767 B8R0.9 CC(=O)NCC(=O)CO Amb27494067 [1,1,0,0,0,0|2,0,0]=4 2768 B8R0.9 CC(=O)NCC(=O)NO Amb25340085 [1,1,0,0,0,0|2,0,0]=4 2769 B8R0.9 CC(=O)OCC(=O)CO Amb28253910 [1,1,0,0,0,0|2,0,0]=4 2770 B8R0.9 CC(CCC(=O)O)NO Amb27945567 [1,1,0,0,0,0|1,0,1]=4 2771 B8R0.9 CCC(=O)CCC(=O)O Amb2099579 [1,1,0,0,0,0|1,0,0]=3 2772 B8R0.9 CCC(=O)CCC(C)=O Amb17593347 [1,1,0,0,0,0|2,0,0]=4 2773 B8R0.9 CCC(=O)NCC(=O)O Amb1120037 [1,1,0,0,0,0|2,0,0]=4 2774 B8R0.9 CCC(O)CCC(=O)O Amb27149373 [1,1,0,0,0,0|1,0,1]=4 2775 B8R0.9 CCS(=O)CCC(=O)O Amb9173461 [1,1,0,0,0,0|2,0,0]=4 2776 B8R0.9 CC[C@H](O)CCC(=O)O Amb27170465 [1,1,0,0,0,0|1,0,1]=4 2777 B8R0.9 CN(CCC(=O)O)N=O Amb17618592 [1,1,0,0,0,0|2,0,0]=4 2778 B8R0.9 CNC(=O)CCC(=O)O Amb2720937 [1,1,0,0,0,0|1,0,0]=3 2779 B8R0.9 CNC(=O)CCC(C)=O Amb17334107 [1,1,0,0,0,0|2,0,0]=4 2780 B8R0.9 CNC(=O)CCC(N)=O Amb17334114 [1,1,0,0,0,0|2,0,0]=4 2781 B8R0.9 CNC(=O)NCC(=O)O Amb1130948 [1,1,0,0,0,0|2,0,0]=4 2782 B8R0.9 CNC(=O)OCC(=O)O Amb30018932 [1,1,0,0,0,0|2,0,0]=4 2783 B8R0.9 COC(=O)CCB(O)O Amb25705142 [1,1,0,0,0,0|1,0,1]=4 2784 B8R0.9 COC(=O)CCC(=O)Cl Amb3939311 [1,1,0,0,0,0|1,0,0]=3 2785 B8R0.9 COC(=O)CCC(=O)O Amb6538024 [1,1,0,0,0,0|0,0,0]=2 2786 B8R0.9 COC(=O)CCC(C)=O Amb13777321 [1,1,0,0,0,0|1,0,0]=3 2787 B8R0.9 COC(=O)CCC(C)O Amb26459430 [1,1,0,0,0,0|1,0,1]=4 2788 B8R0.9 COC(=O)CCC(N)=O Amb24323351 [1,1,0,0,0,0|1,0,0]=3 2789 B8R0.9 COC(=O)CCC(N)=S Amb18108081 [1,1,0,0,0,0|1,1,0]=4 2790 B8R0.9 COC(=O)CCS(=O)Cl Amb25944850 [1,1,0,0,0,0|2,0,0]=4 2791 B8R0.9 COC(=O)CCS(=O)O Amb25967240 [1,1,0,0,0,0|1,0,0]=3 2792 B8R0.9 COC(=O)CCS(=O)[O-] Amb21520328 [1,1,0,0,0,0|1,0,1]=4 2793 B8R0.9 COC(=O)CCS(N)=O Amb32720304 [1,1,0,0,0,0|2,0,0]=4 2794 B8R0.9 COC(=O)CC[N+](=O)[O-] Amb26494342 [1,1,0,0,0,0|1,0,1]=4 2795 B8R0.9 COC(=O)CNC(C)=O Amb3886556 [1,1,0,0,0,0|2,0,0]=4 2796 B8R0.9 COC(=O)CNC(N)=O Amb1126846 [1,1,0,0,0,0|2,0,0]=4 2797 B8R0.9 COC(=O)COC(C)=O Amb28049254 [1,1,0,0,0,0|2,0,0]=4 2798 B8R0.9 COC(=O)NCC(=O)Cl Amb28388481 [1,1,0,0,0,0|2,0,0]=4 2799 B8R0.9 COC(=O)NCC(=O)O Amb3941451 [1,1,0,0,0,0|1,0,0]=3 2800 B8R0.9 COC(=O)NCC(C)=O Amb28461105 [1,1,0,0,0,0|2,0,0]=4 2801 B8R0.9 COC(=O)NCC(N)=O Amb27640170 [1,1,0,0,0,0|2,0,0]=4 2802 B8R0.9 COC(=O)OCC(=O)Cl Amb8393900 [1,1,0,0,0,0|2,0,0]=4 2803 B8R0.9 COC(=O)OCC(=O)O Amb8393899 [1,1,0,0,0,0|1,0,0]=3 2804 B8R0.9 COC(=O)\C=C/C(=O)O Amb6295872 [1,1,0,0,0,0|0,0,2]=4 2805 B8R0.9 COC(=O)\C=C\C(=O)O Amb33511119 [1,1,0,0,0,0|0,0,2]=4 2806 B8R0.9 COC(=S)SCC(=O)O Amb26653180 [1,1,0,0,0,0|1,1,0]=4 2807 B8R0.9 COC(C)CCC(=O)O Amb24271104 [1,1,0,0,0,0|1,0,1]=4 2808 B8R0.9 CON(C)CCC(=O)O Amb27881744 [1,1,0,0,0,0|2,0,0]=4 2809 B8R0.9 CO[C@@H](C)CCC(=O)O Amb28241276 [1,1,0,0,0,0|1,0,1]=4 2810 B8R0.9 CO\C(C)=C\CC(=O)O Amb27963206 [1,1,0,0,0,0|1,0,1]=4 2811 B8R0.9 CO\P(=O)=C\CC(=O)O Amb27199324 [1,1,0,0,0,0|1,0,1]=4 2812 B8R0.9 C\C(CCC(=O)O)=N/O Amb25138471 [1,1,0,0,0,0|1,0,0]=3 2813 B8R0.9 NC(CO)CCC(=O)O Amb18642916 [1,1,0,0,0,0|1,0,1]=4 2814 B8R0.9 NC(CO)CCC(=O)O Amb32665461 [1,1,0,0,0,0|1,0,1]=4 2815 B8R0.9 NCC(=O)CCC(=O)O Amb2720232 [1,1,0,0,0,0|1,0,0]=3 2816 B8R0.9 NCC(=O)CCC(=O)O Amb5395775 [1,1,0,0,0,0|1,0,0]=3 2817 B8R0.9 NCC(=O)NCC(=O)O Amb1151360 [1,1,0,0,0,0|2,0,0]=4 2818 B8R0.9 NCC(=O)NCC(=O)O Amb8382637 [1,1,0,0,0,0|2,0,0]=4 2819 B8R0.9 NCC(O)CCC(=O)O Amb29838305 [1,1,0,0,0,0|1,0,1]=4 2820 B8R0.9 NC[C@@H](O)CCC(=O)O Amb27477096 [1,1,0,0,0,0|1,0,1]=4 2821 B8R0.9 NNC(=O)CCC(N)=O Amb595603 [1,1,0,0,0,0|2,0,0]=4 2822 B8R0.9 NNC(=O)NCC(=O)O Amb27623574 [1,1,0,0,0,0|2,0,0]=4 2823 B8R0.9 N[C@H](CO)CCC(=O)O Amb24685421 [1,1,0,0,0,0|1,0,1]=4 2824 B8R0.9 N[C@H](CO)CCC(=O)O Amb32664911 [1,1,0,0,0,0|1,0,1]=4 2825 B8R0.9 O=C(O)CCC(=O)CCl Amb25736440 [1,1,0,0,0,0|1,0,0]=3 2826 B8R0.9 O=C(O)CCC(O)CCl Amb27799910 [1,1,0,0,0,0|1,0,1]=4 2827 B8R0.9 O=C(O)CC\C(O)=N\O Amb24745795 [1,1,0,0,0,0|0,0,1]=3 2828 B8R0.9 O=C(O)CNC(=O)CCl Amb1144436 [1,1,0,0,0,0|2,0,0]=4 2829 B8R0.9 O=C(O)CNC(=O)CO Amb18124375 [1,1,0,0,0,0|1,0,0]=3 2830 B8R0.9 O=C(O)COC(=O)CCl Amb18644547 [1,1,0,0,0,0|2,0,0]=4 2831 B8R0.9 O=C(O)CSC(=O)CS Amb27213308 [1,1,0,0,0,0|1,1,0]=4 2832 B8R0.9 O=C(O)\C=C\C(=O)NO Amb28060797 [1,1,0,0,0,0|0,0,2]=4 2833 B8R0.9 O=CC(=O)CCC(=O)O Amb18642737 [1,1,0,0,0,0|0,0,1]=3 2834 B8R0.9 O=NN(O)CCC(=O)O Amb27495384 [1,1,0,0,0,0|1,0,0]=3 2835 B8R0.29 CP(=O)(O)CCC(=O)O Amb1792559 [1,1,0,0,0,0|1,0,0]=3 2836 B8R0.29 CP(=O)(O)OCC(=O)O Amb26578720 [1,1,0,0,0,0|2,0,0]=4 2837 B8R0.29 CS(=O)(=O)CCC(=O)O Amb6275720 [1,1,0,0,0,0|1,0,1]=4 2838 B8R0.29 NS(=O)(=O)CCC(=O)O Amb6741826 [1,1,0,0,0,0|1,0,1]=4 2839 B8R0.29 O=C(O)CCP(=O)(O)O Amb2228990 [1,1,0,0,0,0|1,0,0]=3 2840 B8R0.29 O=C(O)CCS(=O)(=O)O Amb17399954 [1,1,0,0,0,0|1,0,0]=3 2841 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Amb28960294 [1,1,0,0,0,0|1,0,1]=4 2842 B8R0.29 O=C(O)COP(=O)(O)O Amb24442945 [1,1,0,0,0,0|2,0,0]=4 2843 B8R0.18 C#CC(C(=O)O)C(=O)O Amb27493331 [0,1,0,0,1,0|1,0,0]=3 2844 B8R0.18 C=C(C)C(CN)C(=O)O Amb33199955 [0,1,0,0,1,0|2,0,0]=4 2845 B8R0.18 C=CC(C(=O)O)C(=O)O Amb27655691 [0,1,0,0,1,0|1,0,0]=3 2846 B8R0.18 CC(=O)C(CN)C(C)=O Amb28411438 [0,1,0,0,1,0|2,0,0]=4 2847 B8R0.18 CC(O)C(NN)C(=O)O Amb18642940 [0,1,0,0,1,0|1,0,1]=4 2848 B8R0.18 CC=C(C(=O)O)C(=O)O Amb27439270 [0,1,0,0,1,0|1,0,1]=4 2849 B8R0.18 CCC(C(=O)O)C(=O)O Amb6297197 [0,1,0,0,1,0|1,0,0]=3 2850 B8R0.18 CCC(C(N)=O)C(=O)O Amb28410332 [0,1,0,0,1,0|2,0,0]=4 2851 B8R0.18 CN[C@@H](C(=O)O)C(C)O Amb22800385 [0,1,0,0,1,0|1,0,1]=4 2852 B8R0.18 CN[C@H](C(=O)O)C(C)O Amb27446656 [0,1,0,0,1,0|1,0,1]=4 2853 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O Amb25887203 [0,1,0,0,1,0|1,0,1]=4 2854 B8R0.18 COC(C(=O)O)C(=O)O Amb27396318 [0,1,0,0,1,0|1,0,0]=3 2855 B8R0.18 CSC(C(=O)O)C(=O)O Amb27407760 [0,1,0,0,1,0|1,0,0]=3 2856 B8R0.18 N#CC(C(N)=O)C(=O)O Amb28121468 [0,1,0,0,1,0|1,0,1]=4 2857 B8R0.18 NC=C(C(=O)O)C(=O)O Amb27236633 [0,1,0,0,1,0|0,0,1]=3 2858 B8R0.18 NCC(C(=O)O)C(=O)O Amb27408219 [0,1,0,0,1,0|0,0,0]=2 2859 B8R0.18 O=C(O)C(=CBr)C(=O)O Amb9825194 [0,1,0,0,1,0|1,0,1]=4 2860 B8R0.18 O=C(O)C(CO)C(=O)O Amb27849072 [0,1,0,0,1,0|1,0,0]=3 2861 B8R0.27 CC(=O)C(N)P(=O)(O)O Amb27835752 [0,1,0,0,1,0|2,0,0]=4 2862 B8R0.27 CC(C(=O)O)P(=O)(O)O Amb9814224 [0,1,0,0,1,0|2,0,0]=4 2863 B8R0.27 CC(C(=O)O)S(=O)(=O)O Amb25765487 [0,1,0,0,1,0|2,0,0]=4 2864 B8R0.27 CC(C)(O)C(N)C(=O)O Amb18642914 [0,1,0,0,1,0|1,0,1]=4 2865 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O Amb8389457 [0,1,0,0,1,0|1,0,1]=4 2866 B8R0.27 CC(C)(O)[C@H](N)C(=O)O Amb33872154 [0,1,0,0,1,0|1,0,1]=4 2867 B8R0.27 CC(C)(O)[C@H](N)C(=O)O Amb8397144 [0,1,0,0,1,0|1,0,1]=4 2868 B8R0.27 C[C@H](C(=O)O)S(=O)(=O)O Amb28385771 [0,1,0,0,1,0|2,0,0]=4 2869 B8R0.27 O=C(O)C(O)P(=O)(O)O Amb24117287 [0,1,0,0,1,0|2,0,0]=4 2870 B8R0.37 CC(=O)C(C)(C)C(=O)O Amb18642784 [0,1,0,0,1,0|2,0,0]=4 2871 B8R0.37 CC(=O)C(C)(O)C(=O)O Amb18642870 [0,1,0,0,1,0|2,0,0]=4 2872 B8R0.37 CC(C)(C(=O)O)C(=O)Cl Amb17593749 [0,1,0,0,1,0|2,0,0]=4 2873 B8R0.37 CC(C)(C(=O)O)C(=O)O Amb2613653 [0,1,0,0,1,0|1,0,0]=3 2874 B8R0.37 CC(C)(C(N)=O)C(=O)O Amb8386802 [0,1,0,0,1,0|2,0,0]=4 2875 B8R0.37 CC(N)(C(=O)O)C(=O)O Amb28347069 [0,1,0,0,1,0|0,0,0]=2 2876 B8R0.37 CC(N)(C(N)=O)C(=O)O Amb27593792 [0,1,0,0,1,0|1,0,0]=3 2877 B8R0.37 CC(N)(C(N)=O)C(N)=O Amb28133691 [0,1,0,0,1,0|2,0,0]=4 2878 B8R0.37 CC(O)C(C)(N)C(=O)O Amb2780038 [0,1,0,0,1,0|1,0,1]=4 2879 B8R0.37 CC(O)C(C)(N)C(=O)O Amb30585196 [0,1,0,0,1,0|1,0,1]=4 2880 B8R0.37 C[C@@H](O)[C@@](C)(N)C(=O)O Amb26458741 [0,1,0,0,1,0|1,0,1]=4 2881 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O Amb27776914 [0,1,0,0,1,0|1,0,1]=4 2882 B8R0.37 C[C@H](O)[C@@](C)(N)C(=O)O Amb22232016 [0,1,0,0,1,0|1,0,1]=4 2883 B8R0.37 C[C@H](O)[C@](C)(N)C(=O)O Amb26390846 [0,1,0,0,1,0|1,0,1]=4 2884 B8R0.37 NC(=O)C(F)(F)C(=O)O Amb24385040 [0,1,0,0,1,0|2,0,0]=4 2885 B8R0.37 NC(=O)C(F)(F)C(=O)O Amb33496126 [0,1,0,0,1,0|2,0,0]=4 2886 B8R0.37 O=C(O)C(Cl)(Cl)C(=O)O Amb17594338 [0,1,0,0,1,0|1,0,0]=3 2887 B8R0.37 O=C(O)C(F)(F)C(=O)O Amb24088375 [0,1,0,0,1,0|1,0,0]=3 2888 B8R0.37 O=C(O)C(O)(Br)C(=O)O Amb27634888 [0,1,0,0,1,0|1,0,0]=3 2889 B8R0.37 O=C(O)C(O)(O)C(=O)O Amb22002022 [0,1,0,0,1,0|1,0,0]=3 2890 B10R0.12 NC(CCC(=O)O)P(=O)(O)O Amb28388181 [0,1,0,0,0,1|1,0,0]=3 2891 B10R0.13 CC(=O)C(C)C(C)CC(=O)O Amb18645031 [0,1,0,0,0,1|2,0,0]=4 2892 B10R0.13 CC(=O)CC(C)C(C)C(=O)O Amb18126130 [0,1,0,0,0,1|2,0,0]=4 2893 B10R0.13 CC(=O)NC(C)C(C)C(=O)O Amb28137397 [0,1,0,0,0,1|2,0,0]=4 2894 B10R0.13 CC(=O)N[C@@H](C)[C@H](O)C(=O)O Amb27477763 [0,1,0,0,0,1|2,0,0]=4 2895 B10R0.13 CC(=O)OC(C)C(N)C(=O)O Amb25385009 [0,1,0,0,0,1|1,0,0]=3 2896 B10R0.13 CC(=O)O[C@@H](C)[C@@H](N)C(=O)O Amb22747815 [0,1,0,0,0,1|1,0,0]=3 2897 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O Amb27272567 [0,1,0,0,0,1|1,0,0]=3 2898 B10R0.13 CC(C(=O)O)S(=O)CC(N)=O Amb18304636 [0,1,0,0,0,1|2,0,0]=4 2899 B10R0.13 CC(C(N)=O)S(=O)CC(=O)O Amb18305129 [0,1,0,0,0,1|2,0,0]=4 2900 B10R0.13 CC(CC(=O)O)C(C)C(=O)O Amb4009129 [0,1,0,0,0,1|1,0,0]=3 2901 B10R0.13 CC(CC(=O)O)C(N)C(=O)O Amb23440872 [0,1,0,0,0,1|0,0,0]=2 2902 B10R0.13 CC(CC(=O)O)C(N)C(N)=O Amb27989322 [0,1,0,0,0,1|1,0,0]=3 2903 B10R0.13 CC(CC(=O)O)[C@H](N)C(=O)O Amb26990553 [0,1,0,0,0,1|0,0,0]=2 2904 B10R0.13 CC(CC(N)=O)C(N)C(=O)O Amb27989323 [0,1,0,0,0,1|1,0,0]=3 2905 B10R0.13 CC(NC(=N)N)C(N)C(=O)O Amb28239770 [0,1,0,0,0,1|2,0,0]=4 2906 B10R0.13 CC(OC(N)=O)C(N)C(=O)O Amb26082810 [0,1,0,0,0,1|1,0,0]=3 2907 B10R0.13 CN(CC(=O)O)C(=O)C(=O)O Amb26660524 [0,1,0,0,0,1|1,0,1]=4 2908 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O Amb19133152 [0,1,0,0,0,1|0,0,0]=2 2909 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O Amb28388115 [0,1,0,0,0,1|0,0,0]=2 2910 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O Amb28388114 [0,1,0,0,0,1|0,0,0]=2 2911 B10R0.13 C\C(=C/C(=O)O)C(O)C(=O)O Amb28119844 [0,1,0,0,0,1|1,0,1]=4 2912 B10R0.13 C\C(C(=O)O)=C(\Cl)CC(=O)O Amb28077775 [0,1,0,0,0,1|1,0,1]=4 2913 B10R0.13 NC(=O)CC(O)C(N)C(N)=O Amb28080520 [0,1,0,0,0,1|2,0,0]=4 2914 B10R0.13 NC(=O)C[C@@H](O)[C@@H](N)C(=O)O Amb27990186 [0,1,0,0,0,1|1,0,0]=3 2915 B10R0.13 NC(=O)[C@@H](N)[C@H](O)CC(=O)O Amb27990184 [0,1,0,0,0,1|1,0,0]=3 2916 B10R0.13 NC(=O)[C@H](N)[C@H](O)CC(=O)O Amb27990185 [0,1,0,0,0,1|1,0,0]=3 2917 B10R0.13 NC(C(=O)O)C(O)CC(=O)O Amb25383245 [0,1,0,0,0,1|0,0,0]=2 2918 B10R0.13 NC(C(=O)O)\C(Cl)=C\C(=O)O Amb24374819 [0,1,0,0,0,1|0,0,1]=3 2919 B10R0.13 NC(CC(=O)O)C(O)C(=O)O Amb26083654 [0,1,0,0,0,1|1,0,0]=3 2920 B10R0.13 NC(CC(=O)O)[C@H](N)C(=O)O Amb24764806 [0,1,0,0,0,1|0,0,0]=2 2921 B10R0.13 N[C@@H](C(=O)O)[C@@H](O)CC(=O)O Amb27990015 [0,1,0,0,0,1|0,0,0]=2 2922 B10R0.13 N[C@H](C(=O)O)C(F)CC(=O)O Amb26083316 [0,1,0,0,0,1|0,0,0]=2 2923 B10R0.13 O=C(O)CC(Br)C(=O)C(=O)O Amb33756838 [0,1,0,0,0,1|1,0,1]=4 2924 B10R0.43 CC(=O)C(C)(C)CCC(=O)O Amb18126156 [0,1,0,0,0,1|2,0,0]=4 2925 B10R0.43 CC(=O)C(C)(C)SCC(=O)O Amb27990168 [0,1,0,0,0,1|2,0,0]=4 2926 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Amb18645019 [0,1,0,0,0,1|2,0,0]=4 2927 B10R0.43 CC(=O)CCC(C)(N)C(N)=O Amb27989320 [0,1,0,0,0,1|2,0,0]=4 2928 B10R0.43 CC(=O)NCC(C)(C)C(=O)O Amb33548160 [0,1,0,0,0,1|2,0,0]=4 2929 B10R0.43 CC(=O)NCC(C)(O)C(=O)O Amb28044387 [0,1,0,0,0,1|2,0,0]=4 2930 B10R0.43 CC(=O)NCC(F)(F)C(=O)O Amb27840273 [0,1,0,0,0,1|2,0,0]=4 2931 B10R0.43 CC(=O)OCC(C)(C)C(=O)O Amb27269198 [0,1,0,0,0,1|2,0,0]=4 2932 B10R0.43 CC(=O)SCC(C)(C)C(=O)O Amb27818773 [0,1,0,0,0,1|2,0,0]=4 2933 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Amb2721065 [0,1,0,0,0,1|1,0,0]=3 2934 B10R0.43 CC(C)(CNC(N)=O)C(=O)O Amb27401824 [0,1,0,0,0,1|2,0,0]=4 2935 B10R0.43 CC(C)(NCC(=O)O)C(=O)O Amb27000181 [0,1,0,0,0,1|1,0,0]=3 2936 B10R0.43 CC(C)(NCC(=O)O)C(N)=O Amb18306310 [0,1,0,0,0,1|2,0,0]=4 2937 B10R0.43 CC(C)(NCC(N)=O)C(=O)O Amb18306733 [0,1,0,0,0,1|2,0,0]=4 2938 B10R0.43 CC(C)(SCC(=O)O)C(=O)O Amb17501462 [0,1,0,0,0,1|1,0,0]=3 2939 B10R0.43 CC(C)(SCC(N)=O)C(=O)O Amb17501450 [0,1,0,0,0,1|2,0,0]=4 2940 B10R0.43 CC(C)=CCC(C)(N)C(=O)O Amb27176549 [0,1,0,0,0,1|2,0,0]=4 2941 B10R0.43 CC(N)(CCC(=O)O)C(=O)O Amb22801426 [0,1,0,0,0,1|0,0,0]=2 2942 B10R0.43 CC(N)(CCC(=O)O)C(=O)O Amb3940869 [0,1,0,0,0,1|0,0,0]=2 2943 B10R0.43 CC(N)(\C=C\C(=O)O)C(=O)O Amb27401910 [0,1,0,0,0,1|0,0,1]=3 2944 B10R0.43 C[C@@](N)(CCC(=O)O)C(=O)O Amb8629033 [0,1,0,0,0,1|0,0,0]=2 2945 B10R0.43 C[C@](N)(CCC(=O)O)C(=O)O Amb8629032 [0,1,0,0,0,1|0,0,0]=2 2946 B10R0.43 NC(=O)C(N)(O)CCC(=O)O Amb28080506 [0,1,0,0,0,1|1,0,0]=3 2947 B10R0.43 NC(=O)C(O)(Cl)CCC(=O)O Amb27990215 [0,1,0,0,0,1|2,0,0]=4 2948 B10R0.43 NC(=O)CCC(N)(F)C(=O)O Amb10839407 [0,1,0,0,0,1|1,0,0]=3 2949 B10R0.43 NC(N)(CCC(=O)O)C(=O)O Amb26076861 [0,1,0,0,0,1|0,0,0]=2 2950 B10R0.43 O=C(O)CCC(F)(F)C(=O)O Amb22263070 [0,1,0,0,0,1|1,0,0]=3 2951 B10R0.43 O=C(O)CCC(O)(O)C(=O)O Amb27271130 [0,1,0,0,0,1|1,0,0]=3 2952 B10R0.57 C=C(C)CCC(N)C(=O)OC Amb33309178 [0,1,0,0,0,1|2,0,0]=4 2953 B10R0.57 CNC(=O)C(C)NCC(=O)O Amb9325887 [0,1,0,0,0,1|2,0,0]=4 2954 B10R0.57 CNC(=O)C(C)SCC(=O)O Amb9203226 [0,1,0,0,0,1|2,0,0]=4 2955 B10R0.57 CNC(=O)C(N)CCC(=O)O Amb27987066 [0,1,0,0,0,1|1,0,0]=3 2956 B10R0.57 CNC(=O)[C@@H](N)CCC(=O)O Amb27671844 [0,1,0,0,0,1|1,0,0]=3 2957 B10R0.57 COC(=O)C(C)CNC(C)=O Amb25385897 [0,1,0,0,0,1|2,0,0]=4 2958 B10R0.57 COC(=O)C(Cl)CSC(C)=O Amb33620490 [0,1,0,0,0,1|2,0,0]=4 2959 B10R0.57 COC(=O)C(N)CC=C(C)C Amb26077073 [0,1,0,0,0,1|2,0,0]=4 2960 B10R0.57 COC(=O)C(N)CC=C(Cl)Cl Amb33036714 [0,1,0,0,0,1|2,0,0]=4 2961 B10R0.57 COC(=O)C(N)CCC(C)=O Amb32645698 [0,1,0,0,0,1|1,0,0]=3 2962 B10R0.57 COC(=O)C(N)CCC(C)O Amb33065655 [0,1,0,0,0,1|1,0,1]=4 2963 B10R0.57 COC(=O)C(N)CCC(N)=O Amb32752608 [0,1,0,0,0,1|1,0,0]=3 2964 B10R0.57 COC(=O)C(N)CCS(C)=O Amb18648234 [0,1,0,0,0,1|2,0,0]=4 2965 B10R0.57 COC(=O)C(N)COC(C)=O Amb33803614 [0,1,0,0,0,1|1,0,0]=3 2966 B10R0.57 COC(=O)C(O)CNC(C)=O Amb27672462 [0,1,0,0,0,1|2,0,0]=4 2967 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O Amb8390399 [0,1,0,0,0,1|0,0,0]=2 2968 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O Amb8629195 [0,1,0,0,0,1|1,0,0]=3 2969 B10R0.57 COC(=O)[C@@H](N)CCS(C)=O Amb33802381 [0,1,0,0,0,1|2,0,0]=4 2970 B10R0.57 COC(=O)[C@@H](N)CNC(C)=O Amb27990246 [0,1,0,0,0,1|1,0,0]=3 2971 B10R0.57 COC(=O)[C@@H](N)CNC(N)=O Amb27989967 [0,1,0,0,0,1|1,0,0]=3 2972 B10R0.57 COC(=O)[C@H](Cl)CNC(C)=O Amb27989995 [0,1,0,0,0,1|2,0,0]=4 2973 B10R0.57 COC(=O)[C@H](N)CCC(=O)O Amb33801734 [0,1,0,0,0,1|0,0,0]=2 2974 B10R0.57 COC(=O)[C@H](N)CCC(=O)O Amb33866552 [0,1,0,0,0,1|0,0,0]=2 2975 B10R0.57 COC(=O)[C@H](N)CCC(=O)[O-] Amb34915024 [0,1,0,0,0,1|0,0,1]=3 2976 B10R0.57 COC(=O)[C@H](N)CCC(N)=O Amb8629196 [0,1,0,0,0,1|1,0,0]=3 2977 B10R0.57 NC(CCC(=O)O)C(=O)NO Amb27987067 [0,1,0,0,0,1|0,0,0]=2 2978 B10R0.57 NNC(=O)C(N)CCC(=O)O Amb27987068 [0,1,0,0,0,1|1,0,0]=3 2979 B10R0.57 NNC(=O)C(N)CCC(N)=O Amb27988668 [0,1,0,0,0,1|2,0,0]=4 2980 B10R0.57 O=C(O)CNC(=O)C(=O)CO Amb27988470 [0,1,0,0,0,1|1,0,1]=4 2981 B10R0.82 C#CC(=O)NCC(N)C(=O)O Amb27792858 [0,1,0,0,0,1|1,0,0]=3 2982 B10R0.82 C#CC(=O)NC[C@H](N)C(=O)O Amb25210877 [0,1,0,0,0,1|1,0,0]=3 2983 B10R0.82 C#CC(=O)NC[C@H](O)C(=O)O Amb27751159 [0,1,0,0,0,1|2,0,0]=4 2984 B10R0.82 C=C(C)C(N)CCC(=O)OC Amb33199520 [0,1,0,0,0,1|2,0,0]=4 2985 B10R0.82 C=C(CCC(=O)OC)C(=O)O Amb30584741 [0,1,0,0,0,1|1,0,1]=4 2986 B10R0.82 C=CC(=O)NC[C@H](N)C(=O)O Amb27674138 [0,1,0,0,0,1|1,0,0]=3 2987 B10R0.82 CC(N\C=C(/O)C=O)C(=O)O Amb28198008 [0,1,0,0,0,1|1,0,1]=4 2988 B10R0.82 CCC(=O)NC[C@H](O)C(=O)O Amb27670709 [0,1,0,0,0,1|2,0,0]=4 2989 B10R0.82 CNC(=O)CCC(N)C(=O)O Amb18645293 [0,1,0,0,0,1|1,0,0]=3 2990 B10R0.82 CNC(=O)CO[C@@H](C)C(=O)O Amb27986317 [0,1,0,0,0,1|2,0,0]=4 2991 B10R0.82 CNC(=O)CSC(C)C(=O)O Amb6257259 [0,1,0,0,0,1|2,0,0]=4 2992 B10R0.82 CNC(=O)NCC(C)C(=O)O Amb18300018 [0,1,0,0,0,1|2,0,0]=4 2993 B10R0.82 CNC(=O)SC[C@H](N)C(=O)O Amb17617278 [0,1,0,0,0,1|1,0,0]=3 2994 B10R0.82 COC(=O)CCC(Br)C(=O)O Amb18134592 [0,1,0,0,0,1|1,0,0]=3 2995 B10R0.82 COC(=O)CCC(Cl)C(=O)O Amb32941125 [0,1,0,0,0,1|1,0,0]=3 2996 B10R0.82 COC(=O)CCC(N)C(=O)O Amb9825413 [0,1,0,0,0,1|0,0,0]=2 2997 B10R0.82 COC(=O)CCC(N)C(N)=O Amb31291204 [0,1,0,0,0,1|1,0,0]=3 2998 B10R0.82 COC(=O)CCC(O)C(=O)O Amb32941120 [0,1,0,0,0,1|1,0,0]=3 2999 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Amb16183875 [0,1,0,0,0,1|0,0,0]=2 3000 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Amb22746068 [0,1,0,0,0,1|0,0,0]=2 3001 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Amb2720571 [0,1,0,0,0,1|0,0,0]=2 3002 B10R0.82 COC(=O)CC[C@H](N)C(=O)[O-] Amb34916015 [0,1,0,0,0,1|0,0,1]=3 3003 B10R0.82 COC(=O)CC[C@H](N)C(N)=O Amb22432474 [0,1,0,0,0,1|1,0,0]=3 3004 B10R0.82 COC(=O)CC[C@H](N)C(N)=O Amb34916457 [0,1,0,0,0,1|1,0,0]=3 3005 B10R0.82 COC(=O)CNC(C)C(N)=O Amb9203719 [0,1,0,0,0,1|2,0,0]=4 3006 B10R0.82 COC(=O)NCC(N)C(C)O Amb27271725 [0,1,0,0,0,1|1,0,1]=4 3007 B10R0.82 COC(=O)NC[C@H](O)C(=O)O Amb27670721 [0,1,0,0,0,1|1,0,0]=3 3008 B10R0.82 NC(CCC(=O)NO)C(=O)O Amb22350145 [0,1,0,0,0,1|0,0,0]=2 3009 B10R0.82 NC(CC[PH](=O)CO)C(=O)[O-] Amb22167951 [0,1,0,0,0,1|1,0,1]=4 3010 B10R0.82 NC(CNC(=O)C=O)C(=O)O Amb26082139 [0,1,0,0,0,1|0,0,1]=3 3011 B10R0.82 NC(CNC(=O)CCl)C(=O)O Amb27990068 [0,1,0,0,0,1|1,0,0]=3 3012 B10R0.82 NC(CS\C(Cl)=C\Cl)C(=O)O Amb27818529 [0,1,0,0,0,1|2,0,0]=4 3013 B10R0.82 NCC(O)CCC(N)C(=O)O Amb2720125 [0,1,0,0,0,1|1,0,1]=4 3014 B10R0.82 NCC(O)CCC(N)C(=O)O Amb9809250 [0,1,0,0,0,1|1,0,1]=4 3015 B10R0.82 NCC(O)CC[C@H](N)C(=O)O Amb34175411 [0,1,0,0,0,1|1,0,1]=4 3016 B10R0.82 NC[C@@H](O)CC[C@H](N)C(=O)O Amb24117040 [0,1,0,0,0,1|1,0,1]=4 3017 B10R0.82 NC[C@H](O)CC[C@@H](N)C(=O)O Amb33802991 [0,1,0,0,0,1|1,0,1]=4 3018 B10R0.82 NC[C@H](O)CC[C@@H](N)C(=O)O Amb33804786 [0,1,0,0,0,1|1,0,1]=4 3019 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O Amb22747912 [0,1,0,0,0,1|1,0,1]=4 3020 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O Amb24121192 [0,1,0,0,0,1|1,0,1]=4 3021 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O Amb35788437 [0,1,0,0,0,1|1,0,1]=4 3022 B10R0.82 NNC(=O)CCC(N)C(=O)O Amb6366546 [0,1,0,0,0,1|1,0,0]=3 3023 B10R0.82 NNC(=O)CC[C@H](N)C(=O)O Amb25379957 [0,1,0,0,0,1|1,0,0]=3 3024 B10R0.82 N[C@@H](CCC(=O)NO)C(=O)O Amb27269199 [0,1,0,0,0,1|0,0,0]=2 3025 B10R0.82 N[C@@H](CS\C(Cl)=C\Cl)C(=O)O Amb27671445 [0,1,0,0,0,1|2,0,0]=4 3026 B10R0.82 N[C@@H](C\C=C(/Cl)CO)C(=O)O Amb27988484 [0,1,0,0,0,1|1,0,0]=3 3027 B10R0.82 N\C(=N/O)NCC(N)C(=O)O Amb28182515 [0,1,0,0,0,1|1,0,0]=3 3028 B10R0.82 O=C(CCl)NCC(O)C(=O)O Amb27990120 [0,1,0,0,0,1|2,0,0]=4 3029 B10R0.84 CCC(SCC(=O)O)C(=O)O Amb17501325 [0,1,0,0,0,1|1,0,0]=3 3030 B10R0.84 CCC(SCC(N)=O)C(=O)O Amb17501319 [0,1,0,0,0,1|2,0,0]=4 3031 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O Amb13884885 [0,1,0,0,0,1|0,0,0]=2 3032 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O Amb24117978 [0,1,0,0,0,1|0,0,0]=2 3033 B10R0.84 COC(CNC(C)=O)C(=O)O Amb27269110 [0,1,0,0,0,1|2,0,0]=4 3034 B10R0.84 COC(CNC(N)=O)C(=O)O Amb27269111 [0,1,0,0,0,1|2,0,0]=4 3035 B10R0.84 N#CC(CCC(=O)O)C(=O)O Amb27990272 [0,1,0,0,0,1|0,0,1]=3 3036 B10R0.92 CC(C)(O)CCC(N)C(=O)O Amb26659578 [0,1,0,0,0,1|1,0,1]=4 3037 B10R0.92 CC(C)(O)CC[C@@H](N)C(=O)O Amb33036146 [0,1,0,0,0,1|1,0,1]=4 3038 B10R0.92 CC(C)(O)CC[C@H](N)C(=O)O Amb26659762 [0,1,0,0,0,1|1,0,1]=4 3039 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Amb4424634 [0,1,0,0,0,1|1,0,0]=3 3040 B10R0.92 CP(=O)(O)CCC(O)C(=O)O Amb27000184 [0,1,0,0,0,1|2,0,0]=4 3041 B10R0.92 CP(=O)(O)CC[C@H](N)C(=O)O Amb27001058 [0,1,0,0,0,1|1,0,0]=3 3042 B10R0.92 CP(=O)(O)CC[C@H](N)C(N)=O Amb27671698 [0,1,0,0,0,1|2,0,0]=4 3043 B10R0.92 CP(C)(=O)CC[C@H](N)C(=O)O Amb27671929 [0,1,0,0,0,1|2,0,0]=4 3044 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O Amb2747058 [0,1,0,0,0,1|2,0,0]=4 3045 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O Amb8514715 [0,1,0,0,0,1|2,0,0]=4 3046 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Amb1905637 [0,1,0,0,0,1|1,0,1]=4 3047 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O Amb22745329 [0,1,0,0,0,1|1,0,1]=4 3048 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O Amb9809971 [0,1,0,0,0,1|1,0,1]=4 3049 B10R0.92 C[S@@](=N)(=O)CC[C@H](N)C(=O)O Amb17616898 [0,1,0,0,0,1|2,0,0]=4 3050 B10R0.92 C[S@](=N)(=O)CC[C@H](N)C(=O)O Amb17616899 [0,1,0,0,0,1|2,0,0]=4 3051 B10R0.92 C[SH](=N)(O)CCC(N)C(=O)O Amb27673254 [0,1,0,0,0,1|2,0,0]=4 3052 B10R0.92 NC(C#CP(=O)(O)O)C(=O)O Amb27969693 [0,1,0,0,0,1|1,0,1]=4 3053 B10R0.92 NC(CCP(=O)(O)O)C(=O)O Amb542828 [0,1,0,0,0,1|1,0,0]=3 3054 B10R0.92 NC(CCS(=O)(=O)Cl)C(=O)O Amb28079864 [0,1,0,0,0,1|1,0,1]=4 3055 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O Amb3940449 [0,1,0,0,0,1|1,0,0]=3 3056 B10R0.92 NC(CCS(=O)(=O)S)C(=O)O Amb27990225 [0,1,0,0,0,1|1,0,1]=4 3057 B10R0.92 NC(CCS(N)(=O)=O)C(=O)O Amb27271128 [0,1,0,0,0,1|1,0,1]=4 3058 B10R0.92 NC(COP(=O)(O)O)C(=O)O Amb6334849 [0,1,0,0,0,1|1,0,0]=3 3059 B10R0.92 NC(CSS(=O)(=O)O)C(=O)O Amb25384388 [0,1,0,0,0,1|1,0,0]=3 3060 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O Amb30666599 [0,1,0,0,0,1|1,0,0]=3 3061 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O Amb544255 [0,1,0,0,0,1|1,0,0]=3 3062 B10R0.92 N[C@@H](CCP(O)(O)=S)C(=O)O Amb19929411 [0,1,0,0,0,1|1,0,1]=4 3063 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O Amb6600024 [0,1,0,0,0,1|1,0,0]=3 3064 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O Amb22800081 [0,1,0,0,0,1|1,0,0]=3 3065 B10R0.92 N[C@@H](CSP(=O)(O)O)C(=O)O Amb25385816 [0,1,0,0,0,1|1,0,0]=3 3066 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)O Amb22348198 [0,1,0,0,0,1|1,0,0]=3 3067 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O Amb2719726 [0,1,0,0,0,1|1,0,0]=3 3068 B10R0.92 N[C@H](CCS(=O)(=O)O)C(=O)O Amb27672864 [0,1,0,0,0,1|1,0,0]=3 3069 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O Amb22231363 [0,1,0,0,0,1|1,0,0]=3 3070 B10R0.92 N[C@H](COS(=O)(=O)O)C(=O)O Amb26660628 [0,1,0,0,0,1|1,0,0]=3 3071 B10R0.92 O=C(O)[C@@H](O)COP(=O)(O)O Amb25386288 [0,1,0,0,0,1|2,0,0]=4 3072 B10R0.92 O=C(O)[C@H](O)COP(=O)(O)O Amb6599982 [0,1,0,0,0,1|2,0,0]=4 3073 B10R0.93 C=C(CC(=C)C(=O)O)C(=O)O Amb27990266 [0,1,0,0,0,1|1,0,1]=4 3074 B10R0.93 C=C(CC(C)C(=O)O)C(=O)O Amb10844068 [0,1,0,0,0,1|1,0,0]=3 3075 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Amb18126175 [0,1,0,0,0,1|0,0,0]=2 3076 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Amb33734644 [0,1,0,0,0,1|0,0,0]=2 3077 B10R0.93 C=C(C[C@@H](N)C(=O)O)C(=O)O Amb27990014 [0,1,0,0,0,1|0,0,0]=2 3078 B10R0.93 CC(=O)C(C)CC(C)C(=O)O Amb4014440 [0,1,0,0,0,1|2,0,0]=4 3079 B10R0.93 CC(=O)C(C)SC(C)C(=O)O Amb28352063 [0,1,0,0,0,1|2,0,0]=4 3080 B10R0.93 CC(=O)[C@@H](C)C[C@H](C)C(=O)O Amb27989934 [0,1,0,0,0,1|2,0,0]=4 3081 B10R0.93 CC(CC(=O)C(=O)O)C(=O)O Amb26660388 [0,1,0,0,0,1|1,0,0]=3 3082 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Amb4014252 [0,1,0,0,0,1|1,0,0]=3 3083 B10R0.93 CC(CC(N)C(=O)O)C(=O)O Amb23440871 [0,1,0,0,0,1|0,0,0]=2 3084 B10R0.93 CC(C[C@@H](N)C(=O)O)C(=O)O Amb26999819 [0,1,0,0,0,1|0,0,0]=2 3085 B10R0.93 CC(C[C@H](N)C(=O)O)C(=O)O Amb27000115 [0,1,0,0,0,1|0,0,0]=2 3086 B10R0.93 CC(C[C@H](N)C(=O)O)C(O)O Amb25384090 [0,1,0,0,0,1|0,0,2]=4 3087 B10R0.93 CC(NC(=O)C(=O)O)C(=O)O Amb25108452 [0,1,0,0,0,1|1,0,1]=4 3088 B10R0.93 CC(NC(C)C(=O)O)C(=O)O Amb18126275 [0,1,0,0,0,1|1,0,0]=3 3089 B10R0.93 CC(N[C@@H](C)C(=O)O)C(=O)O Amb26659333 [0,1,0,0,0,1|1,0,0]=3 3090 B10R0.93 CC(N[C@H](C)C(=O)O)C(=O)O Amb27266632 [0,1,0,0,0,1|1,0,0]=3 3091 B10R0.93 CC(O[C@@H](C)C(=O)O)C(N)=O Amb27986323 [0,1,0,0,0,1|2,0,0]=4 3092 B10R0.93 CC(SC(C)C(=O)O)C(=O)O Amb17501619 [0,1,0,0,0,1|1,0,0]=3 3093 B10R0.93 CC(SC(C)C(=O)O)C(N)=O Amb9202524 [0,1,0,0,0,1|2,0,0]=4 3094 B10R0.93 C[C@@H](C[C@@H](C)C(=O)O)C(=O)O Amb27272288 [0,1,0,0,0,1|1,0,0]=3 3095 B10R0.93 C[C@@H](C[C@@H](N)C(=O)O)C(=O)O Amb19133151 [0,1,0,0,0,1|0,0,0]=2 3096 B10R0.93 C[C@@H](C[C@H](N)C(=O)O)C(N)=O Amb27990165 [0,1,0,0,0,1|1,0,0]=3 3097 B10R0.93 C[C@@H](NC(=O)C(=O)O)C(=O)O Amb19893389 [0,1,0,0,0,1|1,0,1]=4 3098 B10R0.93 C[C@@H](N[C@H](C)C(=O)O)C(=O)O Amb25384906 [0,1,0,0,0,1|1,0,0]=3 3099 B10R0.93 C[C@@H](O[C@H](C)C(=O)O)C(=O)O Amb25386293 [0,1,0,0,0,1|1,0,0]=3 3100 B10R0.93 C[C@@H](S[C@H](C)C(=O)O)C(=O)O Amb27990009 [0,1,0,0,0,1|1,0,0]=3 3101 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O Amb10807462 [0,1,0,0,0,1|0,0,0]=2 3102 B10R0.93 C[C@H](N[C@@H](C)C(=O)O)C(=O)O Amb27001396 [0,1,0,0,0,1|1,0,0]=3 3103 B10R0.93 C\C(=C\C(C)C(=O)O)C(=O)O Amb23591115 [0,1,0,0,0,1|1,0,1]=4 3104 B10R0.93 NC(=O)C(F)CC(N)C(=O)O Amb25386442 [0,1,0,0,0,1|1,0,0]=3 3105 B10R0.93 NC(=O)C(F)C[C@H](N)C(=O)O Amb25383170 [0,1,0,0,0,1|1,0,0]=3 3106 B10R0.93 NC(=O)C(O)C[C@H](N)C(=O)O Amb27990187 [0,1,0,0,0,1|1,0,0]=3 3107 B10R0.93 NC(=O)[C@@H](F)C[C@@H](N)C(=O)O Amb10839752 [0,1,0,0,0,1|1,0,0]=3 3108 B10R0.93 NC(=O)[C@@H](F)C[C@H](N)C(=O)O Amb10839753 [0,1,0,0,0,1|1,0,0]=3 3109 B10R0.93 NC(=O)[C@@H](N)C[C@H](F)C(=O)O Amb10838207 [0,1,0,0,0,1|1,0,0]=3 3110 B10R0.93 NC(=O)[C@H](F)C[C@@H](N)C(=O)O Amb25384972 [0,1,0,0,0,1|1,0,0]=3 3111 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O Amb26083606 [0,1,0,0,0,1|1,0,0]=3 3112 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O Amb33804028 [0,1,0,0,0,1|1,0,0]=3 3113 B10R0.93 NC(CC(=O)C(=O)O)C(=O)O Amb27671651 [0,1,0,0,0,1|0,0,0]=2 3114 B10R0.93 NC(CC(F)=C(F)F)C(=O)O Amb27823130 [0,1,0,0,0,1|2,0,0]=4 3115 B10R0.93 NC(CC(F)C(=O)O)C(=O)O Amb2688100 [0,1,0,0,0,1|0,0,0]=2 3116 B10R0.93 NC(CC(N)C(=O)O)C(=O)O Amb24117887 [0,1,0,0,0,1|0,0,0]=2 3117 B10R0.93 NC(CC(N)C(=O)O)C(=O)O Amb3994432 [0,1,0,0,0,1|0,0,0]=2 3118 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O Amb22800491 [0,1,0,0,0,1|0,0,0]=2 3119 B10R0.93 N[C@@H](CC(O)C(=O)O)C(=O)O Amb27492043 [0,1,0,0,0,1|0,0,0]=2 3120 B10R0.93 N[C@@H](C[C@@H](F)C(=O)O)C(=O)O Amb24055860 [0,1,0,0,0,1|0,0,0]=2 3121 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O Amb22746048 [0,1,0,0,0,1|0,0,0]=2 3122 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O Amb6600059 [0,1,0,0,0,1|0,0,0]=2 3123 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O Amb22388564 [0,1,0,0,0,1|0,0,0]=2 3124 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O Amb22745417 [0,1,0,0,0,1|0,0,0]=2 3125 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O Amb22800665 [0,1,0,0,0,1|0,0,0]=2 3126 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O Amb24117514 [0,1,0,0,0,1|0,0,0]=2 3127 B10R0.93 N[C@H](C[C@@H](F)C(=O)O)C(=O)O Amb26083605 [0,1,0,0,0,1|0,0,0]=2 3128 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O Amb22388558 [0,1,0,0,0,1|0,0,0]=2 3129 B10R0.93 N[C@H](C[C@H](F)C(=O)O)C(=O)O Amb10839750 [0,1,0,0,0,1|0,0,0]=2 3130 B10R0.93 O=C(O)C(=O)CC(O)C(=O)O Amb17615458 [0,1,0,0,0,1|1,0,0]=3 3131 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O Amb17621581 [0,1,0,0,0,1|1,0,0]=3 3132 B10R0.93 O=C(O)C(O)SC(O)C(=O)O Amb17772308 [0,1,0,0,0,1|1,0,0]=3 3133 B10R0.93 O=C(O)[C@@H](S)C[C@@H](S)C(=O)O Amb27990019 [0,1,0,0,0,1|1,0,0]=3 3134 B10R0.93 [NH3+]C(CC(O)C(=O)O)C(=O)[O-] Amb25385683 [0,1,0,0,0,1|0,0,2]=4 3135 B10R0.31 CS(=O)(=O)CC(N)CC(=O)O Amb27001221 [0,1,0,0,0,1|1,0,1]=4 3136 B10R0.31 NC(CC(=O)O)CP(=O)(O)O Amb27990151 [0,1,0,0,0,1|1,0,0]=3 3137 B10R0.44 CNC(=O)NC(C)CC(=O)O Amb18290552 [0,1,0,0,0,1|2,0,0]=4 3138 B10R0.44 COC(=O)CC(C)CC(=O)O Amb2689808 [0,1,0,0,0,1|1,0,0]=3 3139 B10R0.44 COC(=O)CC(C)CC(C)=O Amb32668276 [0,1,0,0,0,1|2,0,0]=4 3140 B10R0.44 COC(=O)CC(C)NC(N)=O Amb27266623 [0,1,0,0,0,1|2,0,0]=4 3141 B10R0.44 COC(=O)C[C@@H](N)CC(=O)O Amb33621255 [0,1,0,0,0,1|0,0,0]=2 3142 B10R0.44 COC(=O)C[C@@H](N)CC(=O)O Amb33747103 [0,1,0,0,0,1|0,0,0]=2 3143 B10R0.44 COC(=O)NC(C)CC(C)=O Amb27271970 [0,1,0,0,0,1|2,0,0]=4 3144 B10R0.70 CC(C)=CC(CN)CC(=O)O Amb22054874 [0,1,0,0,0,1|2,0,0]=4 3145 B10R0.70 CCC(CC(=O)O)CC(=O)O Amb33172175 [0,1,0,0,0,1|1,0,0]=3 3146 B10R0.70 CCC(CC(=O)O)NC(C)=O Amb25384609 [0,1,0,0,0,1|2,0,0]=4 3147 B10R0.70 CC[C@H](CC(=O)O)NC(C)=O Amb27272274 [0,1,0,0,0,1|2,0,0]=4 3148 B10R0.70 CC\C(=C/C(=O)O)CC(=O)O Amb27990198 [0,1,0,0,0,1|1,0,1]=4 3149 B10R0.70 CC\C(=C\C(=O)O)CC(=O)O Amb27990169 [0,1,0,0,0,1|1,0,1]=4 3150 B10R0.70 CNN(CC(=O)O)CC(=O)O Amb24101394 [0,1,0,0,0,1|1,0,0]=3 3151 B10R0.70 CO\C(=C/C(=O)O)CC(=O)O Amb27990199 [0,1,0,0,0,1|1,0,1]=4 3152 B10R0.70 CO\C(=C\C(=O)O)CC(=O)O Amb27990171 [0,1,0,0,0,1|1,0,1]=4 3153 B10R0.70 O=C(O)CC(CF)CC(=O)O Amb33379251 [0,1,0,0,0,1|1,0,0]=3 3154 B10R0.165 CC(=O)CC(C)(C)CC(=O)O Amb9782556 [0,1,0,0,0,1|2,0,0]=4 3155 B10R0.165 CC(=O)NC(C)(C)CC(=O)O Amb22360340 [0,1,0,0,0,1|2,0,0]=4 3156 B10R0.165 CC(C)(CC(=O)O)CC(=O)O Amb6608976 [0,1,0,0,0,1|1,0,0]=3 3157 B10R0.165 CC(C)(CC(=O)O)NC(N)=O Amb27260802 [0,1,0,0,0,1|2,0,0]=4 3158 B10R0.165 CC(O)(CC(=O)O)CC(=O)O Amb5719671 [0,1,0,0,0,1|1,0,0]=3 3159 B10R0.165 O=C(O)CC(Cl)(Cl)CC(=O)O Amb4014518 [0,1,0,0,0,1|1,0,0]=3 3160 B10R0.165 O=C(O)CC(F)(F)CC(=O)O Amb1149070 [0,1,0,0,0,1|1,0,0]=3 3161 B10R0.165 O=C(O)CS(=O)(=O)CC(=O)O Amb6364794 [0,1,0,0,0,1|2,0,0]=4 3162 B10R0.52 COC(=O)CC(N)P(=O)(O)O Amb27988500 [0,2,0,0,0,0|1,0,0]=3 3163 B10R0.63 CC(C)(CO)C(N)CC(=O)O Amb26659254 [0,2,0,0,0,0|1,0,1]=4 3164 B10R0.63 COC(C)(C)C(N)CC(=O)O Amb27989413 [0,2,0,0,0,0|1,0,1]=4 3165 B10R0.114 NC(CS(=O)(=O)O)P(=O)(O)O Amb28040951 [0,2,0,0,0,0|2,0,0]=4 3166 B10R0.154 CC(C(N)C(=O)O)P(=O)(O)O Amb28341378 [0,2,0,0,0,0|1,0,0]=3 3167 B10R0.154 C[C@@H]([C@@H](N)C(=O)O)C(C)(C)O Amb27865597 [0,2,0,0,0,0|1,0,1]=4 3168 B10R0.154 C[C@@H]([C@H](N)C(=O)O)C(C)(C)O Amb27865509 [0,2,0,0,0,0|1,0,1]=4 3169 B10R0.154 C[C@H]([C@@H](N)C(=O)O)C(C)(C)O Amb27858523 [0,2,0,0,0,0|1,0,1]=4 3170 B10R0.47 CC(C)(CC(=O)CN)C(=O)O Amb27990161 [0,2,0,0,0,0|2,0,0]=4 3171 B10R0.47 CC(N)(CC(N)CO)C(=O)O Amb27673261 [0,2,0,0,0,0|1,0,1]=4 3172 B10R0.47 CNC(=O)CC(C)(C)C(=O)O Amb24707522 [0,2,0,0,0,0|2,0,0]=4 3173 B10R0.47 COC(=O)CC(C)(C)C(=O)O Amb16232093 [0,2,0,0,0,0|1,0,0]=3 3174 B10R0.47 COC(=O)CC(C)(C)C(C)=O Amb27672540 [0,2,0,0,0,0|2,0,0]=4 3175 B10R0.47 COC(=O)CC(C)(O)C(C)=O Amb27673775 [0,2,0,0,0,0|2,0,0]=4 3176 B10R0.47 COC(=O)NC(C)(C)C(=O)O Amb18974085 [0,2,0,0,0,0|2,0,0]=4 3177 B10R0.47 C\C(CC(C)(C)C(=O)O)=N/O Amb27493468 [0,2,0,0,0,0|2,0,0]=4 3178 B10R0.117 C=C(C)C(C)(C)C(N)C(=O)O Amb28343039 [0,2,0,0,0,0|2,0,0]=4 3179 B10R0.117 C=C(C)C(N)C(C)(C)C(=O)O Amb33036389 [0,2,0,0,0,0|2,0,0]=4 3180 B10R0.117 CC(C(=O)O)C(C)(Cl)C(=O)O Amb27456129 [0,2,0,0,0,0|1,0,0]=3 3181 B10R0.117 CC(C(=O)O)C(C)(N)C(=O)O Amb27791829 [0,2,0,0,0,0|0,0,0]=2 3182 B10R0.117 CC(C(=O)O)C(C)(S)C(=O)O Amb27429072 [0,2,0,0,0,0|1,0,0]=3 3183 B10R0.117 CC(C)(C(=O)O)C(Br)C(=O)O Amb25089525 [0,2,0,0,0,0|1,0,0]=3 3184 B10R0.117 CC(C)(C(=O)O)C(N)C(=O)O Amb27232768 [0,2,0,0,0,0|0,0,0]=2 3185 B10R0.117 CC(C)(C(=O)O)C(O)C(=O)O Amb18126316 [0,2,0,0,0,0|1,0,0]=3 3186 B10R0.117 CC(C)(C(N)C(=O)O)S(=O)O Amb24487834 [0,2,0,0,0,0|1,0,0]=3 3187 B10R0.117 CC(C)(C(N)C(=O)O)[N+](=O)[O-] Amb25311247 [0,2,0,0,0,0|1,0,1]=4 3188 B10R0.117 CC(C)([C@H](N)C(=O)O)[N+](=O)[O-] Amb25992717 [0,2,0,0,0,0|1,0,1]=4 3189 B10R0.117 CC(Cl)(C(N)=O)C(O)C(=O)O Amb27845428 [0,2,0,0,0,0|2,0,0]=4 3190 B10R0.117 CS(=O)C(C)(C)C(N)C(=O)O Amb27659362 [0,2,0,0,0,0|2,0,0]=4 3191 B10R0.117 C[C@@H](C(=O)O)[C@](C)(N)C(=O)O Amb28141183 [0,2,0,0,0,0|0,0,0]=2 3192 B10R0.117 C[C@@H](C(=O)O)[C@](C)(O)C(=O)O Amb27876050 [0,2,0,0,0,0|1,0,0]=3 3193 B10R0.117 C[C@@](O)(C(=O)O)[C@H](O)C(=O)O Amb28385578 [0,2,0,0,0,0|1,0,0]=3 3194 B10R0.117 C[C@H](C(=O)O)[C@@](C)(Cl)C(=O)O Amb28070747 [0,2,0,0,0,0|1,0,0]=3 3195 B10R0.117 C[C@H](C(=O)O)[C@](C)(O)C(=O)O Amb27483589 [0,2,0,0,0,0|1,0,0]=3 3196 B10R0.117 NC(C(=O)O)C(F)(F)C(=O)O Amb24558165 [0,2,0,0,0,0|0,0,0]=2 3197 B10R0.117 N[C@@H](C(=O)O)C(F)(F)C(=O)O Amb26566062 [0,2,0,0,0,0|0,0,0]=2 3198 B10R0.117 O=C(O)C(O)C(F)(F)C(=O)O Amb27650600 [0,2,0,0,0,0|1,0,0]=3 3199 B10R0.119 C=CC(N)(CC(=O)O)C(=O)O Amb26659495 [0,2,0,0,0,0|0,0,0]=2 3200 B10R0.119 CC(=O)NC(N)(CCl)C(=O)O Amb26361163 [0,2,0,0,0,0|2,0,0]=4 3201 B10R0.119 CC(CN)(CC(=O)O)C(=O)O Amb22546424 [0,2,0,0,0,0|0,0,0]=2 3202 B10R0.119 CC(CN)(CC(=O)O)C(=O)O Amb26999762 [0,2,0,0,0,0|0,0,0]=2 3203 B10R0.119 CC(O)CC(C)(CN)C(=O)O Amb27269213 [0,2,0,0,0,0|1,0,1]=4 3204 B10R0.119 CCC(C)(CC(=O)O)C(=O)O Amb17776967 [0,2,0,0,0,0|1,0,0]=3 3205 B10R0.119 CCC(N)(CC(=O)O)C(=O)O Amb27673263 [0,2,0,0,0,0|0,0,0]=2 3206 B10R0.119 N[C@@](CO)(CC(=O)O)C(=O)O Amb27001406 [0,2,0,0,0,0|0,0,0]=2 3207 B10R0.119 N[C@](CO)(CC(=O)O)C(=O)O Amb26659195 [0,2,0,0,0,0|0,0,0]=2 3208 B10R0.119 O=C(O)CC(Cl)(CO)C(=O)O Amb27271127 [0,2,0,0,0,0|1,0,0]=3 3209 B10R0.141 CNC(=O)C(C)(C)CC(=O)O Amb25032544 [0,2,0,0,0,0|2,0,0]=4 3210 B10R0.141 COC(=O)C(C)(C)CC(=O)O Amb16232092 [0,2,0,0,0,0|1,0,0]=3 3211 B10R0.141 COC(=O)C(C)(N)NC(C)=O Amb27244870 [0,2,0,0,0,0|2,0,0]=4 3212 B10R0.141 COC(=O)C(C)(S)CC(C)=O Amb28080276 [0,2,0,0,0,0|2,0,0]=4 3213 B10R0.141 COC(=O)C(F)(F)CC(=O)O Amb25385023 [0,2,0,0,0,0|1,0,0]=3 3214 B10R0.141 COC(=O)[C@@](C)(N)CC(N)=O Amb27671927 [0,2,0,0,0,0|1,0,0]=3 3215 B10R0.141 COC(=O)[C@@](C)(O)CC(C)=O Amb27672349 [0,2,0,0,0,0|2,0,0]=4 3216 B10R0.141 COC(=O)[C@](C)(O)CC(C)=O Amb27672533 [0,2,0,0,0,0|2,0,0]=4 3217 B10R0.141 COC(C)C(C)(N)CC(=O)O Amb26650903 [0,2,0,0,0,0|1,0,1]=4 3218 B10R0.163 CC(C)(CS(=O)(=O)O)C(=O)O Amb28343120 [0,2,0,0,0,0|2,0,0]=4 3219 B10R0.163 CC(N)(CP(=O)(O)O)C(=O)O Amb27614362 [0,2,0,0,0,0|1,0,0]=3 3220 B10R0.163 CC(N)(CP(C)(=O)O)C(=O)O Amb27835231 [0,2,0,0,0,0|1,0,0]=3 3221 B10R0.163 CC(N)(CS(C)(=O)=O)C(=O)O Amb26945023 [0,2,0,0,0,0|1,0,1]=4 3222 B10R0.32 C=C(C)CC(N)C(=O)OCC Amb18126069 [0,2,0,0,0,0|2,0,0]=4 3223 B10R0.32 C=C(CC(=O)O)C(=O)OCC Amb24086592 [0,2,0,0,0,0|1,0,1]=4 3224 B10R0.32 C=C(Cl)CC(N)C(=O)OCC Amb32670771 [0,2,0,0,0,0|2,0,0]=4 3225 B10R0.32 CCNC(=O)C(N)CC(=O)O Amb18224398 [0,2,0,0,0,0|1,0,0]=3 3226 B10R0.32 CCNC(=O)[C@H](N)CC(N)=O Amb28080086 [0,2,0,0,0,0|2,0,0]=4 3227 B10R0.32 CCOC(=O)C(N)CC(C)=O Amb32653477 [0,2,0,0,0,0|1,0,0]=3 3228 B10R0.32 CCOC(=O)C(N)CC(C)=O Amb32653478 [0,2,0,0,0,0|1,0,0]=3 3229 B10R0.32 CCOC(=O)C(N)CC(C)O Amb33036538 [0,2,0,0,0,0|1,0,1]=4 3230 B10R0.32 CCOC(=O)N(C)CC(=O)O Amb6251129 [0,2,0,0,0,0|2,0,0]=4 3231 B10R0.32 CCOC(=O)[C@@H](N)CC(=O)O Amb22745898 [0,2,0,0,0,0|0,0,0]=2 3232 B10R0.32 CCOC(C)C(N)CC(=O)O Amb33425727 [0,2,0,0,0,0|1,0,1]=4 3233 B10R0.32 COCC(=O)N(C)CC(=O)O Amb1120074 [0,2,0,0,0,0|2,0,0]=4 3234 B10R0.32 COCC(C)C(N)CC(=O)O Amb33255879 [0,2,0,0,0,0|1,0,1]=4 3235 B10R0.32 COCC(C)[C@@H](N)CC(=O)O Amb33254476 [0,2,0,0,0,0|1,0,1]=4 3236 B10R0.32 COCC(C)[C@H](N)CC(=O)O Amb33255361 [0,2,0,0,0,0|1,0,1]=4 3237 B10R0.32 CONC(=O)C(N)CC(=O)O Amb27670779 [0,2,0,0,0,0|0,0,0]=2 3238 B10R0.32 CONC(=O)C(N)CC(N)=O Amb27987617 [0,2,0,0,0,0|1,0,0]=3 3239 B10R0.32 N#CNC(=O)C(N)CC(=O)O Amb27209412 [0,2,0,0,0,0|1,0,0]=3 3240 B10R0.37 COC(=O)C(N)CC(C)(C)O Amb26998888 [0,2,0,0,0,0|1,0,1]=4 3241 B10R0.37 COC(=O)C(N)CP(=O)(O)O Amb27671655 [0,2,0,0,0,0|1,0,0]=3 3242 B10R0.37 COC(=O)C(N)CS(C)(=O)=O Amb25386022 [0,2,0,0,0,0|1,0,1]=4 3243 B10R0.37 COC(=O)[C@@H](N)CS(C)(=O)=O Amb26990529 [0,2,0,0,0,0|1,0,1]=4 3244 B10R0.37 COC(=O)[C@@H](N)CS(N)(=O)=O Amb32946825 [0,2,0,0,0,0|1,0,1]=4 3245 B10R0.46 C=C(CC(=O)OC)C(=O)OC Amb533251 [0,2,0,0,0,0|1,0,1]=4 3246 B10R0.46 C=C(CC)CC(N)C(=O)OC Amb33037025 [0,2,0,0,0,0|2,0,0]=4 3247 B10R0.46 C=C=C(C)CC(N)C(=O)OC Amb24764813 [0,2,0,0,0,0|2,0,0]=4 3248 B10R0.46 CCC(=O)CC(N)C(=O)OC Amb32789392 [0,2,0,0,0,0|1,0,0]=3 3249 B10R0.46 CCC(O)CC(N)C(=O)OC Amb33308655 [0,2,0,0,0,0|1,0,1]=4 3250 B10R0.46 CNC(=O)C(N)CC(=O)OC Amb27671619 [0,2,0,0,0,0|1,0,0]=3 3251 B10R0.46 CNC(=O)CC(N)C(=O)OC Amb27671628 [0,2,0,0,0,0|1,0,0]=3 3252 B10R0.46 COC(=O)C(C)CC(=O)NO Amb27987382 [0,2,0,0,0,0|1,0,0]=3 3253 B10R0.46 COC(=O)C(N)CC(C)CO Amb33308527 [0,2,0,0,0,0|1,0,1]=4 3254 B10R0.46 COC(=O)C(N)CC(C)OC Amb32937042 [0,2,0,0,0,0|1,0,1]=4 3255 B10R0.46 COC(=O)C(N)CC(O)CF Amb33308978 [0,2,0,0,0,0|1,0,1]=4 3256 B10R0.46 COC(=O)C(N)CC(O)CO Amb33066084 [0,2,0,0,0,0|0,0,2]=4 3257 B10R0.46 COC(=O)C(N)C\C(C)=C\Cl Amb27492506 [0,2,0,0,0,0|2,0,0]=4 3258 B10R0.46 COC(=O)CC(=O)C(=O)OC Amb22490417 [0,2,0,0,0,0|1,0,1]=4 3259 B10R0.46 COC(=O)CC(C)C(=O)OC Amb21964553 [0,2,0,0,0,0|1,0,0]=3 3260 B10R0.46 COC(=O)CC(N)C(=O)OC Amb18126274 [0,2,0,0,0,0|0,0,0]=2 3261 B10R0.46 COC(=O)CC(N)C(=O)OC Amb6366547 [0,2,0,0,0,0|0,0,0]=2 3262 B10R0.46 COC(=O)CC(N)C(C)OC Amb33255412 [0,2,0,0,0,0|1,0,1]=4 3263 B10R0.46 COC(=O)CC(O)C(=O)OC Amb3939692 [0,2,0,0,0,0|1,0,0]=3 3264 B10R0.46 COC(=O)C[C@@H](Br)C(=O)OC Amb22747395 [0,2,0,0,0,0|1,0,0]=3 3265 B10R0.46 COC(=O)C[C@@H](C)C(=O)OC Amb15692786 [0,2,0,0,0,0|1,0,0]=3 3266 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC Amb16183880 [0,2,0,0,0,0|0,0,0]=2 3267 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC Amb19372612 [0,2,0,0,0,0|0,0,0]=2 3268 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC Amb3939675 [0,2,0,0,0,0|1,0,0]=3 3269 B10R0.46 COC(=O)C[C@H](C)C(=O)OC Amb22226743 [0,2,0,0,0,0|1,0,0]=3 3270 B10R0.46 COC(=O)C[C@H](N)C(=O)OC Amb6211510 [0,2,0,0,0,0|0,0,0]=2 3271 B10R0.46 COC(=O)C[C@H](O)C(=O)OC Amb3939687 [0,2,0,0,0,0|1,0,0]=3 3272 B10R0.46 COC(=O)N(C)CC(=O)NO Amb27272208 [0,2,0,0,0,0|2,0,0]=4 3273 B10R0.46 COC(=O)N[C@@H](C)C(=O)OC Amb25385806 [0,2,0,0,0,0|2,0,0]=4 3274 B10R0.46 COC(=O)\C=C(/N)C(=O)OC Amb5725946 [0,2,0,0,0,0|0,0,2]=4 3275 B10R0.46 COC(=O)\C=C(\N)C(=O)OC Amb22903230 [0,2,0,0,0,0|0,0,2]=4 3276 B10R0.54 CNC(=O)C(CC(=O)O)OC Amb23536084 [0,2,0,0,0,0|2,0,0]=4 3277 B10R0.54 COC(=O)C(C#N)CC(C)=O Amb18125822 [0,2,0,0,0,0|1,0,1]=4 3278 B10R0.54 COC(=O)[C@H](CN)NC(C)=O Amb26999942 [0,2,0,0,0,0|2,0,0]=4 3279 B10R0.54 COC(=O)\C(=C/Cl)CC(=O)O Amb27990076 [0,2,0,0,0,0|1,0,1]=4 3280 B10R0.54 [C-]#[N+]C(CC(C)=O)C(=O)OC Amb19928639 [0,2,0,0,0,0|1,0,1]=4 3281 B10R0.56 C=C(C)C(N)C(C)C(=O)OC Amb33036340 [0,2,0,0,0,0|2,0,0]=4 3282 B10R0.56 CC(=O)[C@@H](O)[C@@H](O)C(=O)CO Amb27672418 [0,2,0,0,0,0|2,0,0]=4 3283 B10R0.56 CC(C(O)CO)C(N)C(=O)O Amb25385170 [0,2,0,0,0,0|0,0,2]=4 3284 B10R0.56 CCC(=O)[C@@H](C)[C@H](N)C(=O)O Amb27990250 [0,2,0,0,0,0|1,0,0]=3 3285 B10R0.56 CCC(=O)[C@H](C)[C@H](N)C(=O)O Amb27990251 [0,2,0,0,0,0|1,0,0]=3 3286 B10R0.56 CC[C@@H](O)[C@@H](C)[C@H](N)C(=O)O Amb27990252 [0,2,0,0,0,0|1,0,1]=4 3287 B10R0.56 CC[C@@H](O)[C@H](C)[C@H](N)C(=O)O Amb27990254 [0,2,0,0,0,0|1,0,1]=4 3288 B10R0.56 CC[C@H](O)[C@@H](C)[C@H](N)C(=O)O Amb27990253 [0,2,0,0,0,0|1,0,1]=4 3289 B10R0.56 CC[C@H](O)[C@H](C)[C@H](N)C(=O)O Amb27990255 [0,2,0,0,0,0|1,0,1]=4 3290 B10R0.56 CNC(=O)C(O)C(O)C(=O)O Amb27176596 [0,2,0,0,0,0|2,0,0]=4 3291 B10R0.56 CNC(=O)[C@H](O)[C@@H](O)C(=O)O Amb27617308 [0,2,0,0,0,0|2,0,0]=4 3292 B10R0.56 COC(=O)C(C)C(C)C(C)=O Amb27672526 [0,2,0,0,0,0|2,0,0]=4 3293 B10R0.56 COC(=O)C(F)C(N)C(=O)O Amb27671674 [0,2,0,0,0,0|0,0,0]=2 3294 B10R0.56 COC(=O)C(F)[C@H](N)C(=O)O Amb26083722 [0,2,0,0,0,0|0,0,0]=2 3295 B10R0.56 COC(=O)C(N)C(C)C(=O)O Amb27673475 [0,2,0,0,0,0|0,0,0]=2 3296 B10R0.56 COC(=O)C(N)C(C)C(C)O Amb33036741 [0,2,0,0,0,0|1,0,1]=4 3297 B10R0.56 COC(=O)C(O)C(C)C(C)=O Amb27673836 [0,2,0,0,0,0|2,0,0]=4 3298 B10R0.56 COC(=O)C(O)C(N)C(=O)O Amb18645752 [0,2,0,0,0,0|0,0,0]=2 3299 B10R0.56 COC(=O)C(O)C(O)C(=O)O Amb25384902 [0,2,0,0,0,0|1,0,0]=3 3300 B10R0.56 COC(=O)N(C)C(C)C(=O)O Amb18299738 [0,2,0,0,0,0|2,0,0]=4 3301 B10R0.56 COC(=O)N(C)[C@@H](C)C(=O)O Amb26659556 [0,2,0,0,0,0|2,0,0]=4 3302 B10R0.56 COC(=O)N(C)[C@H](C)C(=O)O Amb33726089 [0,2,0,0,0,0|2,0,0]=4 3303 B10R0.56 COC(=O)[C@@H](C)[C@@H](C)C(C)=O Amb27672272 [0,2,0,0,0,0|2,0,0]=4 3304 B10R0.56 COC(=O)[C@@H](C)[C@H](C)C(=O)O Amb27990012 [0,2,0,0,0,0|1,0,0]=3 3305 B10R0.56 COC(=O)[C@@H](O)[C@H](N)C(=O)O Amb27271132 [0,2,0,0,0,0|0,0,0]=2 3306 B10R0.56 COC(=O)[C@@H](O)[C@H](O)C(=O)O Amb24764738 [0,2,0,0,0,0|1,0,0]=3 3307 B10R0.56 COC(=O)[C@H](O)[C@@H](C)C(C)=O Amb27672220 [0,2,0,0,0,0|2,0,0]=4 3308 B10R0.56 COC(=O)[C@H](O)[C@@H](O)C(=O)O Amb24763072 [0,2,0,0,0,0|1,0,0]=3 3309 B10R0.56 COC(C)C(N)C(C)C(=O)O Amb33036377 [0,2,0,0,0,0|1,0,1]=4 3310 B10R0.56 NC(C(=O)O)C(O)C(O)CBr Amb28080388 [0,2,0,0,0,0|1,0,1]=4 3311 B10R0.56 NC(C(O)CO)C(O)C(=O)O Amb28079622 [0,2,0,0,0,0|0,0,2]=4 3312 B10R0.56 N[C@@H](C(=O)O)[C@H](O)C(=O)NO Amb27823329 [0,2,0,0,0,0|0,0,0]=2 3313 B10R0.56 O=C(O)[C@@H](O)[C@H](O)C(=O)CO Amb27988486 [0,2,0,0,0,0|1,0,0]=3 3314 B10R0.56 O=C[C@H](O)[C@@H](O)[C@H](O)C(=O)O Amb27990018 [0,2,0,0,0,0|1,0,1]=4 3315 B10R0.144 CCC(OC)C(N)CC(=O)O Amb33255278 [0,2,0,0,0,0|1,0,1]=4 3316 B10R0.144 COC(OC)C(N)CC(=O)O Amb2697632 [0,2,0,0,0,0|0,0,2]=4 3317 B10R0.23 C=C(C)CC(NC=O)C(=O)O Amb26077062 [0,2,0,0,0,0|2,0,0]=4 3318 B10R0.23 C=C(Cl)CC(NC=O)C(=O)O Amb33308772 [0,2,0,0,0,0|2,0,0]=4 3319 B10R0.23 C=NNC(CC(=O)O)C(=O)O Amb24070182 [0,2,0,0,0,0|0,0,0]=2 3320 B10R0.23 CC(=O)CC(NC=O)C(=O)O Amb26998851 [0,2,0,0,0,0|1,0,0]=3 3321 B10R0.23 CC(O)CC(NC=O)C(=O)O Amb33066257 [0,2,0,0,0,0|1,0,1]=4 3322 B10R0.23 CCCC(CC(=O)O)C(=O)O Amb18645267 [0,2,0,0,0,0|1,0,0]=3 3323 B10R0.23 CCCC(CC(C)=O)C(=O)O Amb533160 [0,2,0,0,0,0|2,0,0]=4 3324 B10R0.23 CCNC(CC(=O)O)C(C)=O Amb18608416 [0,2,0,0,0,0|1,0,0]=3 3325 B10R0.23 CNCC(NC(C)=O)C(=O)O Amb27269521 [0,2,0,0,0,0|2,0,0]=4 3326 B10R0.23 CNC[C@H](NC(C)=O)C(=O)O Amb25383164 [0,2,0,0,0,0|2,0,0]=4 3327 B10R0.23 COCC(CC(=O)O)C(=O)O Amb4007524 [0,2,0,0,0,0|1,0,0]=3 3328 B10R0.23 CSCC(CC(=O)O)C(=O)O Amb32953699 [0,2,0,0,0,0|1,0,0]=3 3329 B10R0.23 N=CN[C@@H](CC(=O)O)C(=O)O Amb27272462 [0,2,0,0,0,0|0,0,0]=2 3330 B10R0.23 NCCC(NC(=O)O)C(=O)O Amb24091186 [0,2,0,0,0,0|1,0,0]=3 3331 B10R0.23 O=C(O)CC(CCF)C(=O)O Amb33196068 [0,2,0,0,0,0|1,0,0]=3 3332 B10R0.23 O=CNC(CC(=O)O)C(=O)O Amb9813710 [0,2,0,0,0,0|0,0,0]=2 3333 B10R0.23 O=CN[C@@H](CC(=O)O)C(=O)O Amb16232029 [0,2,0,0,0,0|0,0,0]=2 3334 B10R0.23 O=CN[C@H](CC(=O)O)C(=O)O Amb22746431 [0,2,0,0,0,0|0,0,0]=2 3335 B10R0.53 C=C(C)C(CN)CC(=O)OC Amb33199521 [0,2,0,0,0,0|2,0,0]=4 3336 B10R0.53 CCC(NC(=O)OC)C(=O)O Amb9329787 [0,2,0,0,0,0|2,0,0]=4 3337 B10R0.53 CC[C@@H](NC(=O)OC)C(=O)O Amb25386298 [0,2,0,0,0,0|2,0,0]=4 3338 B10R0.76 CC(C(=O)O)C(NO)C(=O)O Amb27673476 [0,2,0,0,0,0|0,0,0]=2 3339 B10R0.76 CCC(C(=O)O)C(O)C(=O)O Amb25386294 [0,2,0,0,0,0|1,0,0]=3 3340 B10R0.76 CC[C@@H](C(=O)O)[C@@H](O)C(=O)O Amb27990177 [0,2,0,0,0,0|1,0,0]=3 3341 B10R0.76 CC[C@H](C(=O)O)[C@@H](C)C(=O)O Amb27269197 [0,2,0,0,0,0|1,0,0]=3 3342 B10R0.76 CC[C@H](C(=O)O)[C@H](C)C(=O)O Amb27990007 [0,2,0,0,0,0|1,0,0]=3 3343 B10R0.76 CO[C@H](C(=O)O)[C@@H](O)C(=O)O Amb27990020 [0,2,0,0,0,0|1,0,0]=3 3344 B10R0.76 C[C@H](C(=O)O)[C@H](NN)C(=O)O Amb27272552 [0,2,0,0,0,0|0,0,0]=2 3345 B10R0.76 N#CC(C(=O)O)C(N)C(=O)O Amb27974151 [0,2,0,0,0,0|0,0,0]=2 3346 B10R0.76 NC(C(=O)O)C(CO)C(=O)O Amb27988471 [0,2,0,0,0,0|0,0,0]=2 3347 B10R0.76 NCC(C(=O)O)[C@H](N)C(=O)O Amb25384089 [0,2,0,0,0,0|0,0,0]=2 3348 B10R0.76 NN[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27272395 [0,2,0,0,0,0|0,0,0]=2 3349 B10R0.76 N[C@H](C(=O)O)C(CO)C(=O)O Amb25384088 [0,2,0,0,0,0|0,0,0]=2 3350 B10R0.95 CNC(CS(=O)(=O)O)C(=O)O Amb27990226 [0,2,0,0,0,0|1,0,0]=3 3351 B10R0.95 CN[C@@H](CC(C)(C)O)C(=O)O Amb27271138 [0,2,0,0,0,0|1,0,1]=4 3352 B10R0.95 CS(=O)(=O)CC(CN)C(=O)O Amb33055761 [0,2,0,0,0,0|1,0,1]=4 3353 B10R0.95 NCC(CS(=O)(=O)O)C(=O)O Amb27990268 [0,2,0,0,0,0|1,0,0]=3 3354 B10R0.162 C=C(C)C(CC(=O)O)C(=O)O Amb18644989 [0,2,0,0,0,0|1,0,0]=3 3355 B10R0.162 CC(=O)C(CC(=O)O)C(C)C Amb27990011 [0,2,0,0,0,0|2,0,0]=4 3356 B10R0.162 CC(=O)CC(C(C)=O)N(C)C Amb27673723 [0,2,0,0,0,0|2,0,0]=4 3357 B10R0.162 CC(=O)[C@@H](CC(=O)O)C(C)C Amb27990157 [0,2,0,0,0,0|2,0,0]=4 3358 B10R0.162 CC(=O)\C(CC(=O)O)=C(/C)N Amb27767678 [0,2,0,0,0,0|1,0,1]=4 3359 B10R0.162 CC(C)C(CC(=O)O)C(=O)O Amb18645268 [0,2,0,0,0,0|1,0,0]=3 3360 B10R0.162 O=C(O)CC(C(=O)O)C(=O)O Amb4035259 [0,2,0,0,0,0|1,0,0]=3 3361 B10R0.162 O=C(O)CC(C(=O)O)C(F)F Amb32811600 [0,2,0,0,0,0|1,0,0]=3 3362 B10R0.162 O=C(O)CC(C(=O)O)[N+](=O)[O-] Amb26083808 [0,2,0,0,0,0|0,0,1]=3 3363 B10R0.162 O=C(O)CC(C(=O)O)[SH](=O)=O Amb27990267 [0,2,0,0,0,0|1,0,0]=3 3364 B10R0.162 O=C(O)C[C@@H](C(=O)O)[N+](=O)[O-] Amb24762931 [0,2,0,0,0,0|0,0,1]=3 3365 B10R0.162 O=C(O)C\C(C(=O)O)=P(=O)\O Amb27974262 [0,2,0,0,0,0|0,1,1]=4 3366 B10R0.26 C=C(C)C(N)CC(=O)OCC Amb33036357 [0,2,0,0,0,0|2,0,0]=4 3367 B10R0.26 C=CCS(=O)C[C@@H](N)C(=O)O Amb16193379 [0,2,0,0,0,0|2,0,0]=4 3368 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O Amb10843492 [0,2,0,0,0,0|2,0,0]=4 3369 B10R0.26 C=COC(=O)N[C@@H](C)C(=O)O Amb25386315 [0,2,0,0,0,0|2,0,0]=4 3370 B10R0.26 CCCC(=O)CC(N)C(=O)O Amb33065496 [0,2,0,0,0,0|1,0,0]=3 3371 B10R0.26 CCCC(=O)CC(N)C(N)=O Amb33036932 [0,2,0,0,0,0|2,0,0]=4 3372 B10R0.26 CCCC(=O)C[C@@H](N)C(=O)O Amb33036798 [0,2,0,0,0,0|1,0,0]=3 3373 B10R0.26 CCCC(=O)C[C@H](N)C(=O)O Amb33065790 [0,2,0,0,0,0|1,0,0]=3 3374 B10R0.26 CCCS(=O)C[C@@H](N)C(=O)O Amb22904243 [0,2,0,0,0,0|2,0,0]=4 3375 B10R0.26 CCNC(=O)CC(N)C(=O)O Amb27990016 [0,2,0,0,0,0|1,0,0]=3 3376 B10R0.26 CCOC(=O)CC(Br)C(=O)O Amb18659113 [0,2,0,0,0,0|1,0,0]=3 3377 B10R0.26 CCOC(=O)CC(Br)C(C)=O Amb17406255 [0,2,0,0,0,0|2,0,0]=4 3378 B10R0.26 CCOC(=O)CC(N)C(=O)O Amb4017449 [0,2,0,0,0,0|0,0,0]=2 3379 B10R0.26 CCOC(=O)CC(N)C(=O)O Amb4019239 [0,2,0,0,0,0|0,0,0]=2 3380 B10R0.26 CCOC(=O)CC(O)C(=O)O Amb33362320 [0,2,0,0,0,0|1,0,0]=3 3381 B10R0.26 CCOC(=O)C[C@H](Br)C(=O)O Amb32653240 [0,2,0,0,0,0|1,0,0]=3 3382 B10R0.26 CCOC(=O)NC(C)C(=O)O Amb6248353 [0,2,0,0,0,0|2,0,0]=4 3383 B10R0.26 CCOC(=O)N[C@H](C)C(=O)O Amb24761982 [0,2,0,0,0,0|2,0,0]=4 3384 B10R0.26 CCOC(C)CC(N)C(=O)O Amb33425733 [0,2,0,0,0,0|1,0,1]=4 3385 B10R0.26 COCC(=O)CC(N)C(=O)O Amb32789418 [0,2,0,0,0,0|0,0,0]=2 3386 B10R0.26 COCC(=O)CC(N)C(N)=O Amb33065478 [0,2,0,0,0,0|1,0,0]=3 3387 B10R0.26 COCC(=O)C[C@@H](N)C(=O)O Amb33308520 [0,2,0,0,0,0|0,0,0]=2 3388 B10R0.26 COCC(=O)C[C@H](N)C(=O)O Amb33036839 [0,2,0,0,0,0|0,0,0]=2 3389 B10R0.26 COCC(=O)NC(C)C(=O)O Amb9705107 [0,2,0,0,0,0|2,0,0]=4 3390 B10R0.26 COCC(=O)N[C@@H](C)C(=O)O Amb18179995 [0,2,0,0,0,0|2,0,0]=4 3391 B10R0.26 COCC(O)CC(N)C(=O)O Amb33065944 [0,2,0,0,0,0|0,0,2]=4 3392 B10R0.26 COCC(O)C[C@@H](N)C(=O)O Amb33036693 [0,2,0,0,0,0|0,0,2]=4 3393 B10R0.26 COCC(O)C[C@H](N)C(=O)O Amb33037070 [0,2,0,0,0,0|0,0,2]=4 3394 B10R0.26 C\C(=C/CO)C[C@H](N)C(=O)O Amb27990183 [0,2,0,0,0,0|1,0,0]=3 3395 B10R0.26 C\C=C\S(=O)C[C@H](N)C(=O)O Amb27269201 [0,2,0,0,0,0|2,0,0]=4 3396 B10R0.26 N#CCS(=O)CC(N)C(=O)O Amb26081512 [0,2,0,0,0,0|2,0,0]=4 3397 B10R0.26 N#CCS(=O)C[C@H](N)C(=O)O Amb26998029 [0,2,0,0,0,0|2,0,0]=4 3398 B10R0.26 NCCC(O)CC(N)C(=O)O Amb31031050 [0,2,0,0,0,0|1,0,1]=4 3399 B10R0.67 CC(C)(CO)CC(N)C(=O)O Amb26082923 [0,2,0,0,0,0|1,0,1]=4 3400 B10R0.67 CC(C)(CO)C[C@@H](N)C(=O)O Amb33065558 [0,2,0,0,0,0|1,0,1]=4 3401 B10R0.67 CC(C)(CO)C[C@H](N)C(=O)O Amb25385185 [0,2,0,0,0,0|1,0,1]=4 3402 B10R0.67 CCC(C)(O)CC(N)C(=O)O Amb33036874 [0,2,0,0,0,0|1,0,1]=4 3403 B10R0.67 CCC(C)(O)C[C@@H](N)C(=O)O Amb33036712 [0,2,0,0,0,0|1,0,1]=4 3404 B10R0.67 CCC(C)(O)C[C@H](N)C(=O)O Amb33036564 [0,2,0,0,0,0|1,0,1]=4 3405 B10R0.67 CCP(=O)(O)CC(C)C(=O)O Amb27990021 [0,2,0,0,0,0|2,0,0]=4 3406 B10R0.67 COC(C)(C)CC(N)C(=O)O Amb26997349 [0,2,0,0,0,0|1,0,1]=4 3407 B10R0.67 COC(C)(C)C[C@@H](N)C(=O)O Amb24764653 [0,2,0,0,0,0|1,0,1]=4 3408 B10R0.67 COC(C)(C)C[C@H](N)C(=O)O Amb24764652 [0,2,0,0,0,0|1,0,1]=4 3409 B10R0.72 CCC(CC(N)C(=O)O)OC Amb33066094 [0,2,0,0,0,0|1,0,1]=4 3410 B10R0.72 CCC(C[C@@H](N)C(=O)O)OC Amb33036804 [0,2,0,0,0,0|1,0,1]=4 3411 B10R0.72 CCC(C[C@H](N)C(=O)O)OC Amb33065449 [0,2,0,0,0,0|1,0,1]=4 3412 B10R0.72 COC(CC(N)C(=O)O)OC Amb33225610 [0,2,0,0,0,0|0,0,2]=4 3413 B8R1.1 C=CC1COC(=O)C1 Amb22232189 [1,0,0,1,0,0|2,0,0]=4 3414 B8R1.1 C=C[C@@H]1COC(=O)C1 Amb22232075 [1,0,0,1,0,0|2,0,0]=4 3415 B8R1.1 C=C[C@H]1COC(=O)C1 Amb22232080 [1,0,0,1,0,0|2,0,0]=4 3416 B8R1.1 O=C1CC(CO)CO1 Amb22886806 [1,0,0,1,0,0|1,0,1]=4 3417 B8R1.1 O=C1CC(CO)NN1 Amb35686080 [1,0,0,1,0,0|1,0,1]=4 3418 B8R1.1 O=CC1=NOC(=O)C1 Amb27209562 [1,0,0,1,0,0|0,0,2]=4 3419 B8R1.1 O=CC1CCC(=O)C1 Amb18124240 [1,0,0,1,0,0|2,0,0]=4 3420 B8R1.1 O=CC1CNC(=O)C1 Amb24435979 [1,0,0,1,0,0|2,0,0]=4 3421 B8R1.1 O=CC1COC(=O)C1 Amb26428572 [1,0,0,1,0,0|1,0,0]=3 3422 B8R1.1 O=CC1COC(=O)O1 Amb27446683 [1,0,0,1,0,0|2,0,0]=4 3423 B8R1.4 NC1COCC(=O)C1 Amb33623050 [1,0,0,1,0,0|1,0,1]=4 3424 B8R1.4 NC1COCC(=O)C1 Amb33716160 [1,0,0,1,0,0|1,0,1]=4 3425 B8R1.18 C=C1CC(=O)OC1=O Amb3940408 [1,0,0,1,0,0|1,0,1]=4 3426 B8R1.18 CC1CC(=O)NC1=O Amb10609734 [1,0,0,1,0,0|2,0,0]=4 3427 B8R1.18 CC1CC(=O)OC1=O Amb3940407 [1,0,0,1,0,0|1,0,0]=3 3428 B8R1.18 CC1CC(=O)OC1O Amb26536810 [1,0,0,1,0,0|1,0,1]=4 3429 B8R1.18 CC1CC(N)C(=O)O1 Amb32653104 [1,0,0,1,0,0|1,0,1]=4 3430 B8R1.18 CC1CC(N)C(=O)O1 Amb448594 [1,0,0,1,0,0|1,0,1]=4 3431 B8R1.18 CC1C[C@H](N)C(=O)O1 Amb27844768 [1,0,0,1,0,0|1,0,1]=4 3432 B8R1.18 CC1NC(=O)OC1=O Amb22236022 [1,0,0,1,0,0|2,0,0]=4 3433 B8R1.18 CC1OC(=O)OC1=O Amb28315579 [1,0,0,1,0,0|2,0,0]=4 3434 B8R1.18 CN1CC(=O)OC1=O Amb22734007 [1,0,0,1,0,0|2,0,0]=4 3435 B8R1.18 C[C@@H]1CC(=O)OC1=O Amb25791861 [1,0,0,1,0,0|1,0,0]=3 3436 B8R1.18 C[C@@H]1NC(=O)OC1=O Amb2689575 [1,0,0,1,0,0|2,0,0]=4 3437 B8R1.18 C[C@H]1CC(=O)NC1=O Amb28119095 [1,0,0,1,0,0|2,0,0]=4 3438 B8R1.18 C[C@H]1CC(=O)OC1=O Amb2609932 [1,0,0,1,0,0|1,0,0]=3 3439 B8R1.18 C[C@H]1NC(=O)OC1=O Amb2689574 [1,0,0,1,0,0|2,0,0]=4 3440 B8R1.18 C[C@H]1OC(=O)C[C@@H]1N Amb27973900 [1,0,0,1,0,0|1,0,1]=4 3441 B8R1.18 NC1CC(=O)NC1=O Amb30585083 [1,0,0,1,0,0|1,0,0]=3 3442 B8R1.18 NC1CC(=O)NC1=O Amb9502460 [1,0,0,1,0,0|1,0,0]=3 3443 B8R1.18 NC1CC(=O)OC1=O Amb27216215 [1,0,0,1,0,0|0,0,0]=2 3444 B8R1.18 NC1NC(=O)NC1=O Amb28118590 [1,0,0,1,0,0|2,0,0]=4 3445 B8R1.18 NC1SC(=O)NC1=O Amb2794365 [1,0,0,1,0,0|2,0,0]=4 3446 B8R1.18 NN1CC(=O)NC1=O Amb1106079 [1,0,0,1,0,0|2,0,0]=4 3447 B8R1.18 NN1CC(=O)NC1=O Amb2720280 [1,0,0,1,0,0|2,0,0]=4 3448 B8R1.18 N[C@@H]1CC(=O)OC1=O Amb25992097 [1,0,0,1,0,0|0,0,0]=2 3449 B8R1.18 N[C@@H]1CC(=O)OC1=O Amb8631355 [1,0,0,1,0,0|0,0,0]=2 3450 B8R1.18 N[C@H]1CC(=O)NC1=O Amb17134612 [1,0,0,1,0,0|1,0,0]=3 3451 B8R1.18 N[C@H]1CC(=O)OC1=O Amb24745675 [1,0,0,1,0,0|0,0,0]=2 3452 B8R1.18 N[C@H]1CC(=O)O[C@H]1O Amb28196677 [1,0,0,1,0,0|0,0,1]=3 3453 B8R1.18 O=C1CC(=O)C(O)C1 Amb24330382 [1,0,0,1,0,0|2,0,0]=4 3454 B8R1.18 O=C1CC(Cl)C(=O)O1 Amb24677749 [1,0,0,1,0,0|1,0,0]=3 3455 B8R1.18 O=C1CC(O)C(=O)O1 Amb27399619 [1,0,0,1,0,0|1,0,0]=3 3456 B8R1.18 O=C1C[C@@H](F)C(=O)O1 Amb28286140 [1,0,0,1,0,0|1,0,0]=3 3457 B8R1.18 O=C1C[C@H](F)C(=O)O1 Amb27406936 [1,0,0,1,0,0|1,0,0]=3 3458 B8R1.20 C=C1CC1CC(=O)O Amb25870954 [1,0,0,1,0,0|2,0,0]=4 3459 B8R1.20 O=C(O)CC1CC1O Amb27981662 [1,0,0,1,0,0|1,0,1]=4 3460 B8R1.31 NC1CCC1C(=O)O Amb26979562 [1,0,0,1,0,0|1,0,1]=4 3461 B8R1.31 NC1COC1C(=O)O Amb28428430 [1,0,0,1,0,0|0,0,1]=3 3462 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O Amb24117048 [1,0,0,1,0,0|1,0,1]=4 3463 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O Amb24183584 [1,0,0,1,0,0|1,0,1]=4 3464 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Amb25976891 [1,0,0,1,0,0|1,0,1]=4 3465 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Amb31291972 [1,0,0,1,0,0|1,0,1]=4 3466 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Amb24681491 [1,0,0,1,0,0|0,0,1]=3 3467 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O Amb27187220 [1,0,0,1,0,0|1,0,1]=4 3468 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O Amb33805288 [1,0,0,1,0,0|1,0,1]=4 3469 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Amb25911896 [1,0,0,1,0,0|1,0,1]=4 3470 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Amb33801366 [1,0,0,1,0,0|1,0,1]=4 3471 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O Amb25324265 [1,0,0,1,0,0|0,0,1]=3 3472 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Amb25929776 [1,0,0,1,0,0|0,0,1]=3 3473 B8R1.31 O=C(O)C1C=CC1Br Amb27220099 [1,0,0,1,0,0|2,0,0]=4 3474 B8R1.31 O=C(O)C1C=CC1O Amb27475863 [1,0,0,1,0,0|2,0,0]=4 3475 B8R1.34 O=C(O)CC1CCN1 Amb25068427 [1,0,0,1,0,0|1,0,1]=4 3476 B8R1.34 O=C(O)CC1COC1 Amb18199145 [1,0,0,1,0,0|1,0,1]=4 3477 B8R1.42 NC1(CC(=O)O)CC1 Amb18833024 [1,0,0,1,0,0|1,0,1]=4 3478 B8R1.42 NC1(CC(=O)O)CC1 Amb33550832 [1,0,0,1,0,0|1,0,1]=4 3479 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O Amb28347448 [1,0,0,1,0,0|2,0,0]=4 3480 B8R1.43 CC(=O)C1CC1C=O Amb27809942 [1,0,0,1,0,0|2,0,0]=4 3481 B8R1.43 CC(=O)C1OC1C=O Amb27429116 [1,0,0,1,0,0|2,0,0]=4 3482 B8R1.43 CC(=O)[C@H]1C[C@H]1C=O Amb27186674 [1,0,0,1,0,0|2,0,0]=4 3483 B8R1.43 O=C(O)C1CC1CO Amb25173469 [1,0,0,1,0,0|1,0,1]=4 3484 B8R1.43 O=C(O)[C@@H]1C[C@@H]1CO Amb28198703 [1,0,0,1,0,0|1,0,1]=4 3485 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO Amb25231147 [1,0,0,1,0,0|1,0,1]=4 3486 B8R1.43 O=C(O)[C@H]1C[C@H]1CO Amb26916980 [1,0,0,1,0,0|1,0,1]=4 3487 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Amb25911990 [1,0,0,1,0,0|1,0,0]=3 3488 B8R1.67 C=C1C(C)C1C(=O)O Amb27985954 [1,0,0,1,0,0|2,0,0]=4 3489 B8R1.67 C[C@@H]1[C@@H](N)[C@@H]1C(=O)O Amb28365983 [1,0,0,1,0,0|1,0,1]=4 3490 B8R1.5 NC1CCONC1=O Amb22295935 [1,0,0,1,0,0|1,0,1]=4 3491 B8R1.7 CC(=O)C1CC=CN1 Amb26979687 [1,0,0,1,0,0|2,0,0]=4 3492 B8R1.7 O=C(O)C1C=CCN1 Amb22899488 [1,0,0,1,0,0|1,0,1]=4 3493 B8R1.7 O=C(O)C1C=CCN1 Amb9804432 [1,0,0,1,0,0|1,0,1]=4 3494 B8R1.7 O=C(O)C1CC=CC1 Amb2694750 [1,0,0,1,0,0|2,0,0]=4 3495 B8R1.7 O=C(O)C1CC=NN1 Amb18641765 [1,0,0,1,0,0|1,0,0]=3 3496 B8R1.7 O=C(O)C1CC=NO1 Amb27216537 [1,0,0,1,0,0|2,0,0]=4 3497 B8R1.7 O=C(O)C1CCCN1 Amb1157517 [1,0,0,1,0,0|1,0,1]=4 3498 B8R1.7 O=C(O)C1CCCN1 Amb22040086 [1,0,0,1,0,0|1,0,1]=4 3499 B8R1.7 O=C(O)C1CCOC1 Amb33542759 [1,0,0,1,0,0|1,0,1]=4 3500 B8R1.7 O=C(O)C1CNCN1 Amb27597638 [1,0,0,1,0,0|2,0,0]=4 3501 B8R1.7 O=C(O)C1COC=N1 Amb28291372 [1,0,0,1,0,0|2,0,0]=4 3502 B8R1.7 O=C(O)C1COCN1 Amb2694915 [1,0,0,1,0,0|2,0,0]=4 3503 B8R1.7 O=C(O)C1COCN1 Amb2696354 [1,0,0,1,0,0|2,0,0]=4 3504 B8R1.7 O=C(O)C1CSCN1 Amb532947 [1,0,0,1,0,0|2,0,0]=4 3505 B8R1.7 O=C(O)[C@@H]1C=CCN1 Amb16183937 [1,0,0,1,0,0|1,0,1]=4 3506 B8R1.7 O=C(O)[C@@H]1C=CCN1 Amb22750611 [1,0,0,1,0,0|1,0,1]=4 3507 B8R1.7 O=C(O)[C@@H]1CCCN1 Amb3940757 [1,0,0,1,0,0|1,0,1]=4 3508 B8R1.7 O=C(O)[C@@H]1CCCN1 Amb6754105 [1,0,0,1,0,0|1,0,1]=4 3509 B8R1.7 O=C(O)[C@@H]1CCOC1 Amb10603235 [1,0,0,1,0,0|1,0,1]=4 3510 B8R1.7 O=C(O)[C@@H]1CCON1 Amb26919409 [1,0,0,1,0,0|0,0,1]=3 3511 B8R1.7 O=C(O)[C@@H]1COCN1 Amb19515958 [1,0,0,1,0,0|2,0,0]=4 3512 B8R1.7 O=C(O)[C@@H]1CSCN1 Amb3940400 [1,0,0,1,0,0|2,0,0]=4 3513 B8R1.7 O=C(O)[C@H]1C=CCN1 Amb34158387 [1,0,0,1,0,0|1,0,1]=4 3514 B8R1.7 O=C(O)[C@H]1CCCN1 Amb2720569 [1,0,0,1,0,0|1,0,1]=4 3515 B8R1.7 O=C(O)[C@H]1CCOC1 Amb22226787 [1,0,0,1,0,0|1,0,1]=4 3516 B8R1.7 O=C(O)[C@H]1CSCN1 Amb544887 [1,0,0,1,0,0|2,0,0]=4 3517 B8R1.23 C=C(C)C1CC(=O)N1 Amb27858929 [1,0,0,1,0,0|2,0,0]=4 3518 B8R1.23 C=C(C)[C@@H]1CC(=O)N1 Amb28251769 [1,0,0,1,0,0|2,0,0]=4 3519 B8R1.23 C=C1CC(C(=O)O)C1 Amb613197 [1,0,0,1,0,0|2,0,0]=4 3520 B8R1.23 CC1CC(C(=O)O)N1 Amb27816510 [1,0,0,1,0,0|1,0,1]=4 3521 B8R1.23 CC1CC(C(=O)O)N1 Amb33482923 [1,0,0,1,0,0|1,0,1]=4 3522 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 Amb33483898 [1,0,0,1,0,0|1,0,1]=4 3523 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 Amb33483920 [1,0,0,1,0,0|1,0,1]=4 3524 B8R1.23 C[C@@H]1C[C@H](C(=O)O)N1 Amb33483819 [1,0,0,1,0,0|1,0,1]=4 3525 B8R1.23 C[C@@H]1C[C@H](C(=O)O)N1 Amb33483820 [1,0,0,1,0,0|1,0,1]=4 3526 B8R1.23 NC(=O)C1CC(=O)N1 Amb27214249 [1,0,0,1,0,0|1,0,0]=3 3527 B8R1.23 O=C(O)C1CC(O)C1 Amb8011535 [1,0,0,1,0,0|1,0,1]=4 3528 B8R1.23 O=C(O)C1CS(=O)C1 Amb26056015 [1,0,0,1,0,0|2,0,0]=4 3529 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 Amb19516179 [1,0,0,1,0,0|1,0,1]=4 3530 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 Amb19516178 [1,0,0,1,0,0|1,0,1]=4 3531 B8R1.23 O=C1CC(C(=O)Cl)C1 Amb16230813 [1,0,0,1,0,0|2,0,0]=4 3532 B8R1.23 O=C1CC(C(=O)O)C1 Amb33544325 [1,0,0,1,0,0|1,0,0]=3 3533 B8R1.23 O=C1CC(C(=O)O)N1 Amb16232079 [1,0,0,1,0,0|0,0,0]=2 3534 B8R1.23 O=C1CC(C(=O)O)O1 Amb26887454 [1,0,0,1,0,0|1,0,0]=3 3535 B8R1.23 O=C1CC(S(=O)O)N1 Amb27595618 [1,0,0,1,0,0|1,0,0]=3 3536 B8R1.23 O=C1C[C@@H](C(=O)O)N1 Amb22367070 [1,0,0,1,0,0|0,0,0]=2 3537 B8R1.23 O=C1C[C@H](C(=O)O)N1 Amb26975061 [1,0,0,1,0,0|0,0,0]=2 3538 B8R1.30 C=C1CC1(N)C(=O)O Amb22274582 [1,0,0,1,0,0|1,0,0]=3 3539 B8R1.30 CC1CC1(N)C(=O)O Amb26066646 [1,0,0,1,0,0|1,0,1]=4 3540 B8R1.30 C[C@H]1C[C@]1(N)C(=O)O Amb27873946 [1,0,0,1,0,0|1,0,1]=4 3541 B8R1.30 NC1(C(=O)O)CC1Br Amb27430541 [1,0,0,1,0,0|1,0,1]=4 3542 B8R1.30 NC1(C(=O)O)CC1Cl Amb27596928 [1,0,0,1,0,0|1,0,1]=4 3543 B8R1.30 N[C@@]1(C(=O)O)C[C@@H]1Br Amb28411230 [1,0,0,1,0,0|1,0,1]=4 3544 B8R1.30 N[C@@]1(C(=O)O)C[C@@H]1Cl Amb25245700 [1,0,0,1,0,0|1,0,1]=4 3545 B8R1.30 N[C@@]1(C(=O)O)C[C@H]1Cl Amb28436769 [1,0,0,1,0,0|1,0,1]=4 3546 B8R1.30 N[C@]1(C(=O)O)C[C@@H]1Cl Amb26587370 [1,0,0,1,0,0|1,0,1]=4 3547 B8R1.30 N[C@]1(C(=O)O)C[C@H]1Cl Amb22748908 [1,0,0,1,0,0|1,0,1]=4 3548 B8R1.46 NC1C(=O)NC1CO Amb27985586 [1,0,0,1,0,0|1,0,1]=4 3549 B8R1.46 N[C@@H]1C(=O)N[C@@H]1CO Amb28058411 [1,0,0,1,0,0|1,0,1]=4 3550 B8R1.46 O=C1O[C@H](CO)[C@H]1O Amb27659903 [1,0,0,1,0,0|1,0,1]=4 3551 B8R1.54 NC(C(=O)O)C1CC1 Amb19515010 [1,0,0,1,0,0|1,0,1]=4 3552 B8R1.54 NC(C(=O)O)C1CC1 Amb2696737 [1,0,0,1,0,0|1,0,1]=4 3553 B8R1.54 N[C@@H](C(=O)O)C1CC1 Amb2699141 [1,0,0,1,0,0|1,0,1]=4 3554 B8R1.54 N[C@H](C(=O)O)C1CC1 Amb19929447 [1,0,0,1,0,0|1,0,1]=4 3555 B8R1.54 N[C@H](C(=O)O)C1CC1 Amb2694840 [1,0,0,1,0,0|1,0,1]=4 3556 B8R1.78 CC1(C(=O)O)CCO1 Amb22001906 [1,0,0,1,0,0|1,0,1]=4 3557 B8R1.78 NC1(C(=O)O)CCC1 Amb2694933 [1,0,0,1,0,0|1,0,1]=4 3558 B8R1.78 NC1(C(=O)O)CCC1 Amb8630070 [1,0,0,1,0,0|1,0,1]=4 3559 B8R1.78 NC1(C(=O)O)CNC1 Amb19895006 [1,0,0,1,0,0|2,0,0]=4 3560 B8R1.78 NC1(C(=O)O)CNC1 Amb21960937 [1,0,0,1,0,0|2,0,0]=4 3561 B8R1.78 NC1(C(=O)O)COC1 Amb18199133 [1,0,0,1,0,0|2,0,0]=4 3562 B8R1.78 NC1(C(=O)O)COC1 Amb33109883 [1,0,0,1,0,0|2,0,0]=4 3563 B8R1.78 NC1(C(=O)O)CSC1 Amb21927718 [1,0,0,1,0,0|2,0,0]=4 3564 B8R1.3 O=C1CCC(=O)CC1 Amb6471902 [1,0,0,1,0,0|2,0,0]=4 3565 B8R1.3 O=C1CCC(=O)NC1 Amb15692796 [1,0,0,1,0,0|2,0,0]=4 3566 B8R1.3 O=C1CCC(=O)NN1 Amb22365926 [1,0,0,1,0,0|2,0,0]=4 3567 B8R1.3 O=C1CCC(=O)OC1 Amb26404271 [1,0,0,1,0,0|1,0,0]=3 3568 B8R1.3 O=C1CCC(O)CO1 Amb26345105 [1,0,0,1,0,0|1,0,1]=4 3569 B8R1.3 O=C1COC(=O)CN1 Amb2612815 [1,0,0,1,0,0|2,0,0]=4 3570 B8R1.3 O=C1COC(=O)CO1 Amb2725557 [1,0,0,1,0,0|2,0,0]=4 3571 B8R1.35 O=C(O)CCC1=CC1 Amb28364765 [1,0,0,1,0,0|2,0,0]=4 3572 B8R1.35 O=C(O)CCC1CO1 Amb27667995 [1,0,0,1,0,0|1,0,1]=4 3573 B8R1.50 CC1C(=O)COC1=O Amb4035239 [0,0,0,1,1,0|2,0,0]=4 3574 B8R1.50 N=C1COC(=O)C1N Amb27839054 [0,0,0,1,1,0|2,0,0]=4 3575 B8R1.50 NC1=C(O)COC1=O Amb27830449 [0,0,0,1,1,0|1,0,1]=4 3576 B8R1.50 NC1C(=O)CCC1=O Amb27409660 [0,0,0,1,1,0|2,0,0]=4 3577 B8R1.50 NC1C(=O)NNC1=O Amb26392782 [0,0,0,1,1,0|2,0,0]=4 3578 B8R1.50 N[C@@H]1C(=O)OC[C@@H]1O Amb24697759 [0,0,0,1,1,0|1,0,1]=4 3579 B8R1.50 N[C@@H]1C(=O)OC[C@@H]1O Amb32751750 [0,0,0,1,1,0|1,0,1]=4 3580 B8R1.50 N[C@@H]1C(=O)OC[C@H]1O Amb27202409 [0,0,0,1,1,0|1,0,1]=4 3581 B8R1.50 N[C@H]1C(=O)OC[C@@H]1O Amb27620425 [0,0,0,1,1,0|1,0,1]=4 3582 B8R1.50 O=C1COC(=O)C1Br Amb17594578 [0,0,0,1,1,0|2,0,0]=4 3583 B8R1.50 O=C1COC(=O)C1Cl Amb534802 [0,0,0,1,1,0|2,0,0]=4 3584 B8R1.50 O=C1OC=C(O)C1Cl Amb28396605 [0,0,0,1,1,0|2,0,0]=4 3585 B8R1.50 O=C1ON=C(O)C1F Amb27193869 [0,0,0,1,1,0|2,0,0]=4 3586 B10R1.13 NC(=O)C1CNC(=O)CN1 Amb26400442 [0,0,0,1,0,1|2,0,0]=4 3587 B10R1.13 NC(=O)C1CNC(=O)CN1 Amb33482851 [0,0,0,1,0,1|2,0,0]=4 3588 B10R1.13 O=C(O)C1CCC(O)CN1 Amb22034512 [0,0,0,1,0,1|1,0,1]=4 3589 B10R1.13 O=C(O)C1CCC(O)CN1 Amb5719819 [0,0,0,1,0,1|1,0,1]=4 3590 B10R1.13 O=C(O)C1CNC(O)CN1 Amb25332404 [0,0,0,1,0,1|1,0,1]=4 3591 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 Amb24120629 [0,0,0,1,0,1|1,0,1]=4 3592 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 Amb2697173 [0,0,0,1,0,1|1,0,1]=4 3593 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 Amb28132662 [0,0,0,1,0,1|1,0,1]=4 3594 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 Amb33726118 [0,0,0,1,0,1|1,0,1]=4 3595 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 Amb23440007 [0,0,0,1,0,1|1,0,1]=4 3596 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 Amb23440183 [0,0,0,1,0,1|1,0,1]=4 3597 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CN1 Amb26401050 [0,0,0,1,0,1|1,0,1]=4 3598 B10R1.13 O=C1CCC(C(=O)O)CC1 Amb5719059 [0,0,0,1,0,1|2,0,0]=4 3599 B10R1.13 O=C1CCC(C(=O)O)CN1 Amb8503400 [0,0,0,1,0,1|2,0,0]=4 3600 B10R1.13 O=C1CCC(C(=O)O)CN1 Amb9721708 [0,0,0,1,0,1|2,0,0]=4 3601 B10R1.13 O=C1CCC(C(=O)O)NC1 Amb21960863 [0,0,0,1,0,1|1,0,0]=3 3602 B10R1.13 O=C1CCC(C(=O)O)NC1 Amb5719827 [0,0,0,1,0,1|1,0,0]=3 3603 B10R1.13 O=C1CCC(C(=O)O)NN1 Amb23441127 [0,0,0,1,0,1|1,0,0]=3 3604 B10R1.13 O=C1CCC(C(=O)O)SC1 Amb23596925 [0,0,0,1,0,1|2,0,0]=4 3605 B10R1.13 O=C1CC[C@@H](C(=O)O)CN1 Amb26878933 [0,0,0,1,0,1|2,0,0]=4 3606 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Amb24655763 [0,0,0,1,0,1|1,0,0]=3 3607 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Amb31291189 [0,0,0,1,0,1|1,0,0]=3 3608 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 Amb26515676 [0,0,0,1,0,1|2,0,0]=4 3609 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Amb27648107 [0,0,0,1,0,1|1,0,0]=3 3610 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Amb31291190 [0,0,0,1,0,1|1,0,0]=3 3611 B10R1.13 O=C1CNC(C(=O)O)CN1 Amb22235954 [0,0,0,1,0,1|1,0,0]=3 3612 B10R1.13 O=C1CNC(C(=O)O)CN1 Amb22641428 [0,0,0,1,0,1|1,0,0]=3 3613 B10R1.13 O=C1CN[C@@H](C(=O)O)CN1 Amb24423079 [0,0,0,1,0,1|1,0,0]=3 3614 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 Amb22756547 [0,0,0,1,0,1|1,0,0]=3 3615 B10R1.13 O=C1COC(C(=O)O)CN1 Amb27872662 [0,0,0,1,0,1|2,0,0]=4 3616 B10R1.13 O=C1NCC(C(=O)O)CN1 Amb27469166 [0,0,0,1,0,1|2,0,0]=4 3617 B10R1.58 C=C1CC(C(=O)O)CC1N Amb25996162 [0,0,0,1,0,1|2,0,0]=4 3618 B10R1.58 C=C1CC(C(=O)O)OC1=O Amb27838007 [0,0,0,1,0,1|1,0,1]=4 3619 B10R1.58 C=C1C[C@@H](C(=O)O)OC1=O Amb27253954 [0,0,0,1,0,1|1,0,1]=4 3620 B10R1.58 C=C1C[C@H](C(=O)O)C[C@@H]1N Amb25229776 [0,0,0,1,0,1|2,0,0]=4 3621 B10R1.58 C=C1C[C@H](C(=O)O)OC1=O Amb28340915 [0,0,0,1,0,1|1,0,1]=4 3622 B10R1.58 CC(O)[C@H]1C[C@H](N)C(=O)O1 Amb27782386 [0,0,0,1,0,1|1,0,1]=4 3623 B10R1.58 CC1CC(C(=O)O)CC1=O Amb27413499 [0,0,0,1,0,1|2,0,0]=4 3624 B10R1.58 CC1CC(C(=O)O)OC1=O Amb27836333 [0,0,0,1,0,1|1,0,0]=3 3625 B10R1.58 CC1C[C@@H](C(=O)O)OC1=O Amb27615055 [0,0,0,1,0,1|1,0,0]=3 3626 B10R1.58 CC1OC(C(=O)O)OC1=O Amb27250530 [0,0,0,1,0,1|1,0,0]=3 3627 B10R1.58 CN1CC(C(=O)O)OC1=O Amb27864010 [0,0,0,1,0,1|2,0,0]=4 3628 B10R1.58 CN1C[C@@H](C(=O)O)OC1=O Amb25696396 [0,0,0,1,0,1|2,0,0]=4 3629 B10R1.58 C[C@H]1C[C@@H](C(=O)Cl)OC1=O Amb27255383 [0,0,0,1,0,1|2,0,0]=4 3630 B10R1.58 NC1CC(C(=O)O)OC1=O Amb25147458 [0,0,0,1,0,1|0,0,0]=2 3631 B10R1.58 NN1CC(C(=O)O)CC1=O Amb27453836 [0,0,0,1,0,1|2,0,0]=4 3632 B10R1.58 N[C@@H]1C[C@H](C(=O)O)C[C@H]1O Amb27630763 [0,0,0,1,0,1|1,0,1]=4 3633 B10R1.58 N[C@@H]1C[C@H](C(=O)O)C[C@H]1O Amb33017585 [0,0,0,1,0,1|1,0,1]=4 3634 B10R1.58 N[C@H]1CC(C(=O)O)C[C@@H]1O Amb27238051 [0,0,0,1,0,1|1,0,1]=4 3635 B10R1.58 N[C@H]1C[C@@H](C(=O)O)C[C@@H]1O Amb27420224 [0,0,0,1,0,1|1,0,1]=4 3636 B10R1.58 N[C@H]1C[C@@H](C(=O)O)OC1=O Amb27782562 [0,0,0,1,0,1|0,0,0]=2 3637 B10R1.58 N[C@H]1C[C@@H](C(=O)O)SC1=O Amb27486281 [0,0,0,1,0,1|0,1,0]=3 3638 B10R1.58 N[C@H]1C[C@H](C(=O)O)C[C@@H]1O Amb28437238 [0,0,0,1,0,1|1,0,1]=4 3639 B10R1.58 O=C(O)[C@@H]1C[C@@H](Br)C(=O)O1 Amb28436779 [0,0,0,1,0,1|1,0,0]=3 3640 B10R1.58 O=C(O)[C@@H]1C[C@@H](F)C(=O)N1 Amb10839466 [0,0,0,1,0,1|2,0,0]=4 3641 B10R1.58 O=C1NC(C(=O)O)CC1F Amb24696741 [0,0,0,1,0,1|2,0,0]=4 3642 B10R1.58 O=C1N[C@@H](C(=O)O)C[C@@H]1F Amb27421959 [0,0,0,1,0,1|2,0,0]=4 3643 B10R1.58 O=C1N[C@H](C(=O)O)CC1F Amb25360897 [0,0,0,1,0,1|2,0,0]=4 3644 B10R1.58 O=C1N[C@H](C(=O)O)CC1O Amb28208546 [0,0,0,1,0,1|2,0,0]=4 3645 B10R1.58 O=C1N[C@H](C(=O)O)C[C@@H]1F Amb10838332 [0,0,0,1,0,1|2,0,0]=4 3646 B10R1.58 O=C1O[C@H](C(=O)O)C[C@@H]1O Amb25230626 [0,0,0,1,0,1|1,0,0]=3 3647 B10R1.80 CC(=O)OC1NC(=O)C1N Amb27838093 [0,0,0,1,0,1|2,0,0]=4 3648 B10R1.190 C=C1CC1CC(N)C(=O)O Amb24117524 [0,0,0,1,0,1|2,0,0]=4 3649 B10R1.190 C=C1CC1C[C@@H](N)C(=O)O Amb24640688 [0,0,0,1,0,1|2,0,0]=4 3650 B10R1.190 C=C1C[C@@H]1C[C@H](N)C(=O)O Amb17615983 [0,0,0,1,0,1|2,0,0]=4 3651 B10R1.190 C[C@@H]1O[C@H]1C[C@H](N)C(=O)O Amb27421923 [0,0,0,1,0,1|1,0,1]=4 3652 B10R1.190 C[C@H]1O[C@H]1C[C@H](N)C(=O)O Amb27254136 [0,0,0,1,0,1|1,0,1]=4 3653 B10R1.190 N[C@@H](CC1CC1=O)C(=O)O Amb28315789 [0,0,0,1,0,1|1,0,0]=3 3654 B10R1.349 C=C(O)C1CC(C(=O)O)N1 Amb27397366 [0,0,0,1,0,1|1,0,0]=3 3655 B10R1.349 CC(=O)C1CC(C(=O)O)C1 Amb25113879 [0,0,0,1,0,1|2,0,0]=4 3656 B10R1.349 CC(=O)N1CC(C(=O)O)C1 Amb33545591 [0,0,0,1,0,1|2,0,0]=4 3657 B10R1.349 NC(=O)C1CC(C(=O)O)N1 Amb27872340 [0,0,0,1,0,1|1,0,0]=3 3658 B10R1.349 NC(=O)C1CC(C(N)=O)N1 Amb27838142 [0,0,0,1,0,1|2,0,0]=4 3659 B10R1.349 NC(=O)N1CC(C(=O)O)C1 Amb25990817 [0,0,0,1,0,1|2,0,0]=4 3660 B10R1.349 NC(=O)[C@@H]1C[C@H](C(=O)O)N1 Amb27186909 [0,0,0,1,0,1|1,0,0]=3 3661 B10R1.349 NC(=O)[C@@H]1C[C@H](C(N)=O)N1 Amb24540472 [0,0,0,1,0,1|2,0,0]=4 3662 B10R1.349 NC(=O)[C@H]1C[C@@H](C(=O)O)N1 Amb27961402 [0,0,0,1,0,1|1,0,0]=3 3663 B10R1.349 O=C(O)C1CC(C(=O)O)C1 Amb19958786 [0,0,0,1,0,1|1,0,0]=3 3664 B10R1.349 O=C(O)C1CC(C(=O)O)N1 Amb28318335 [0,0,0,1,0,1|0,0,0]=2 3665 B10R1.349 O=C(O)[C@@H]1C[C@@H](C(=O)O)N1 Amb8515688 [0,0,0,1,0,1|0,0,0]=2 3666 B10R1.349 O=C(O)[C@@H]1C[C@H](C(=O)O)N1 Amb8515686 [0,0,0,1,0,1|0,0,0]=2 3667 B10R1.349 O=C(O)[C@H]1C[C@@H](C(=O)O)C1 Amb7970125 [0,0,0,1,0,1|1,0,0]=3 3668 B10R1.349 O=C(O)[C@H]1C[C@H](C(=O)O)C1 Amb19514892 [0,0,0,1,0,1|1,0,0]=3 3669 B10R1.349 O=C(O)[C@H]1C[C@H](C(=O)O)N1 Amb8515687 [0,0,0,1,0,1|0,0,0]=2 3670 B10R1.359 CP1(=O)CCC(C(=O)O)N1 Amb28436164 [0,0,0,1,0,1|2,0,0]=4 3671 B10R1.359 O=C(O)C1CCP(=O)(O)C1 Amb27450568 [0,0,0,1,0,1|2,0,0]=4 3672 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 Amb19888363 [0,0,0,1,0,1|1,0,1]=4 3673 B10R1.359 O=C(O)C1COS(=O)(=O)N1 Amb27837946 [0,0,0,1,0,1|1,0,1]=4 3674 B10R1.359 O=C(O)[C@@H]1CCS(=O)(=O)N1 Amb27272810 [0,0,0,1,0,1|1,0,1]=4 3675 B10R1.359 O=C(O)[C@H]1CCS(=O)(=O)N1 Amb27600587 [0,0,0,1,0,1|1,0,1]=4 3676 B10R1.360 CC(=O)C1(Br)CC1C(=O)O Amb28204025 [0,0,0,1,0,1|2,0,0]=4 3677 B10R1.360 CC1(C(=O)O)CC1C(=O)O Amb612291 [0,0,0,1,0,1|1,0,0]=3 3678 B10R1.360 C[C@@]1(C(=O)O)C[C@@H]1C(=O)O Amb24598825 [0,0,0,1,0,1|1,0,0]=3 3679 B10R1.360 C[C@@]1(C(=O)O)O[C@@H]1C(=O)O Amb25340526 [0,0,0,1,0,1|1,0,0]=3 3680 B10R1.360 C[C@]1(C(=O)O)C[C@@H]1C(=O)O Amb27420123 [0,0,0,1,0,1|1,0,0]=3 3681 B10R1.360 C[C@]1(C(=O)O)C[C@H]1C(=O)O Amb27969184 [0,0,0,1,0,1|1,0,0]=3 3682 B10R1.360 NC1(C(=O)O)CC1C(=O)O Amb25124900 [0,0,0,1,0,1|0,0,0]=2 3683 B10R1.360 N[C@@]1(C(=O)O)C[C@H]1C(=O)O Amb24515142 [0,0,0,1,0,1|0,0,0]=2 3684 B10R1.360 N[C@]1(C(=O)O)C[C@H]1C(=O)O Amb23452828 [0,0,0,1,0,1|0,0,0]=2 3685 B10R1.360 O=C(O)C1CC1(Br)C(=O)O Amb27770448 [0,0,0,1,0,1|1,0,0]=3 3686 B10R1.360 O=C(O)C1CC1(Cl)C(=O)O Amb27838075 [0,0,0,1,0,1|1,0,0]=3 3687 B10R1.360 O=C(O)C1CC1(O)C(=O)O Amb27975726 [0,0,0,1,0,1|1,0,0]=3 3688 B10R1.360 O=C(O)[C@@H]1C[C@@]1(Br)C(=O)O Amb27213790 [0,0,0,1,0,1|1,0,0]=3 3689 B10R1.360 O=C(O)[C@H]1C[C@@]1(Br)C(=O)O Amb27969089 [0,0,0,1,0,1|1,0,0]=3 3690 B10R1.360 O=C(O)[C@H]1C[C@@]1(Cl)C(=O)O Amb27984863 [0,0,0,1,0,1|1,0,0]=3 3691 B10R1.368 CC(=O)NC1CC1C(=O)O Amb18831601 [0,0,0,1,0,1|2,0,0]=4 3692 B10R1.368 O=C(O)CC1OC1C(=O)O Amb28146420 [0,0,0,1,0,1|1,0,0]=3 3693 B10R1.368 O=C(O)C[C@@H]1O[C@@H]1C(=O)O Amb27254162 [0,0,0,1,0,1|1,0,0]=3 3694 B10R1.368 O=C(O)\C=C1\CC1C(=O)O Amb27216810 [0,0,0,1,0,1|1,0,1]=4 3695 B10R1.470 CC(=O)C1(O)CCC(=O)O1 Amb26927588 [0,0,0,1,0,1|2,0,0]=4 3696 B10R1.470 CC1(C(=O)Cl)CCC(=O)O1 Amb27817345 [0,0,0,1,0,1|2,0,0]=4 3697 B10R1.470 CC1(C(=O)O)CCC(=O)C1 Amb23454199 [0,0,0,1,0,1|2,0,0]=4 3698 B10R1.470 CC1(C(=O)O)CCC(=O)N1 Amb33545084 [0,0,0,1,0,1|2,0,0]=4 3699 B10R1.470 CC1(C(=O)O)CCC(=O)O1 Amb9783335 [0,0,0,1,0,1|1,0,0]=3 3700 B10R1.470 CC1(C(=O)O)CNC(=O)C1 Amb22546311 [0,0,0,1,0,1|2,0,0]=4 3701 B10R1.470 CC1(C(=O)O)CNC(=O)N1 Amb33745555 [0,0,0,1,0,1|2,0,0]=4 3702 B10R1.470 CC1(C(=O)O)CNC(=O)O1 Amb33736385 [0,0,0,1,0,1|1,0,0]=3 3703 B10R1.470 CC1(C(=O)O)COC(=O)N1 Amb27838110 [0,0,0,1,0,1|2,0,0]=4 3704 B10R1.470 CC1(C(=O)O)COC(=O)O1 Amb28422351 [0,0,0,1,0,1|1,0,0]=3 3705 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)N1 Amb28126701 [0,0,0,1,0,1|2,0,0]=4 3706 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)O1 Amb28067769 [0,0,0,1,0,1|1,0,0]=3 3707 B10R1.470 C[C@@]1(C(=O)O)COC(=O)O1 Amb27467542 [0,0,0,1,0,1|1,0,0]=3 3708 B10R1.470 C[C@]1(C(=O)O)CCC(=O)O1 Amb27881875 [0,0,0,1,0,1|1,0,0]=3 3709 B10R1.470 NC1(C(=O)O)CCC(O)C1 Amb26331332 [0,0,0,1,0,1|1,0,1]=4 3710 B10R1.470 NC1(C(=O)O)CCC(O)C1 Amb33456869 [0,0,0,1,0,1|1,0,1]=4 3711 B10R1.470 NC1(C(=O)O)CCS(=O)C1 Amb26884927 [0,0,0,1,0,1|2,0,0]=4 3712 B10R1.470 N[C@@]1(C(=O)O)CC[C@@H](O)C1 Amb10066916 [0,0,0,1,0,1|1,0,1]=4 3713 B10R1.470 N[C@]1(C(=O)O)CC[C@H](O)C1 Amb35745821 [0,0,0,1,0,1|1,0,1]=4 3714 B10R1.470 O=C1CCC(O)(C(=O)O)O1 Amb28050065 [0,0,0,1,0,1|1,0,0]=3 3715 B10R1.470 O=C1C[C@@](O)(C(=O)O)CO1 Amb25084490 [0,0,0,1,0,1|2,0,0]=4 3716 B10R1.54 CC(=O)OC1COC(=O)C1 Amb22730362 [0,0,0,1,0,1|2,0,0]=4 3717 B10R1.54 CC(=O)O[C@@H]1COC(=O)C1 Amb8516055 [0,0,0,1,0,1|2,0,0]=4 3718 B10R1.54 CC(=O)O[C@H]1COC(=O)C1 Amb22225179 [0,0,0,1,0,1|2,0,0]=4 3719 B10R1.54 NC(=O)CC1CC(=O)NN1 Amb35694043 [0,0,0,1,0,1|2,0,0]=4 3720 B10R1.54 O=C(O)CC1=CC(=O)NN1 Amb18202650 [0,0,0,1,0,1|1,0,1]=4 3721 B10R1.54 O=C(O)CC1=CC(=O)OC1 Amb27615054 [0,0,0,1,0,1|1,0,1]=4 3722 B10R1.54 O=C(O)CC1=CC(=O)ON1 Amb28348890 [0,0,0,1,0,1|0,0,1]=3 3723 B10R1.54 O=C(O)CC1=NOC(=O)C1 Amb18202495 [0,0,0,1,0,1|0,0,2]=4 3724 B10R1.54 O=C(O)CC1CC(=O)CN1 Amb27860610 [0,0,0,1,0,1|1,0,0]=3 3725 B10R1.54 O=C(O)CC1CC(O)CN1 Amb25082530 [0,0,0,1,0,1|1,0,1]=4 3726 B10R1.54 O=C(O)CC1CCC(=O)C1 Amb18643816 [0,0,0,1,0,1|2,0,0]=4 3727 B10R1.54 O=C(O)CC1CCC(=O)N1 Amb2372619 [0,0,0,1,0,1|2,0,0]=4 3728 B10R1.54 O=C(O)CC1CCC(=O)O1 Amb6316138 [0,0,0,1,0,1|2,0,0]=4 3729 B10R1.54 O=C(O)CC1CNC(=O)C1 Amb18831602 [0,0,0,1,0,1|2,0,0]=4 3730 B10R1.54 O=C(O)CC1COC(=O)C1 Amb20669416 [0,0,0,1,0,1|1,0,0]=3 3731 B10R1.54 O=C(O)CC1COC(=O)N1 Amb27838109 [0,0,0,1,0,1|1,0,0]=3 3732 B10R1.54 O=C(O)CC1C[C@@H](O)CN1 Amb32990253 [0,0,0,1,0,1|1,0,1]=4 3733 B10R1.54 O=C(O)CC1C[C@H](O)CN1 Amb32990254 [0,0,0,1,0,1|1,0,1]=4 3734 B10R1.54 O=C(O)C[C@@H]1C=CC(=O)O1 Amb28314258 [0,0,0,1,0,1|2,0,0]=4 3735 B10R1.54 O=C(O)C[C@@H]1CC(O)CN1 Amb34915761 [0,0,0,1,0,1|1,0,1]=4 3736 B10R1.54 O=C(O)C[C@@H]1CCC(=O)C1 Amb24480441 [0,0,0,1,0,1|2,0,0]=4 3737 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 Amb22587587 [0,0,0,1,0,1|2,0,0]=4 3738 B10R1.54 O=C(O)C[C@@H]1CNC(=O)C1 Amb24410373 [0,0,0,1,0,1|2,0,0]=4 3739 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 Amb26930782 [0,0,0,1,0,1|1,0,1]=4 3740 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 Amb6754088 [0,0,0,1,0,1|1,0,1]=4 3741 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 Amb22898751 [0,0,0,1,0,1|2,0,0]=4 3742 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 Amb22587585 [0,0,0,1,0,1|2,0,0]=4 3743 B10R1.54 O=C(O)C[C@H]1CCC(=O)O1 Amb26025159 [0,0,0,1,0,1|2,0,0]=4 3744 B10R1.54 O=C(O)C[C@H]1CNC(=O)C1 Amb26611732 [0,0,0,1,0,1|2,0,0]=4 3745 B10R1.54 O=C(O)C[C@H]1COC(=O)N1 Amb25744486 [0,0,0,1,0,1|1,0,0]=3 3746 B10R1.54 O=C(O)C[C@H]1C[C@H](O)CN1 Amb22756736 [0,0,0,1,0,1|1,0,1]=4 3747 B10R1.59 C=C1CC(N)C(C(=O)O)C1 Amb27779891 [0,0,0,1,0,1|2,0,0]=4 3748 B10R1.59 C=C1C[C@H](N)[C@@H](C(=O)O)C1 Amb10071928 [0,0,0,1,0,1|2,0,0]=4 3749 B10R1.59 C=C1C[C@H](N)[C@H](C(=O)O)C1 Amb17938168 [0,0,0,1,0,1|2,0,0]=4 3750 B10R1.59 CC(=O)[C@@H]1OC(=O)C[C@@H]1C Amb25319949 [0,0,0,1,0,1|2,0,0]=4 3751 B10R1.59 CC1=CC(C(=O)O)C(N)C1 Amb27838089 [0,0,0,1,0,1|2,0,0]=4 3752 B10R1.59 CC1=CC(N)C(C(=O)O)C1 Amb27408423 [0,0,0,1,0,1|2,0,0]=4 3753 B10R1.59 CC1=C[C@@H](C(=O)O)[C@@H](N)C1 Amb27629270 [0,0,0,1,0,1|2,0,0]=4 3754 B10R1.59 CC1=C[C@@H](N)[C@@H](C(=O)O)C1 Amb27956118 [0,0,0,1,0,1|2,0,0]=4 3755 B10R1.59 CC1=C[C@@H](N)[C@H](C(=O)O)C1 Amb27882639 [0,0,0,1,0,1|2,0,0]=4 3756 B10R1.59 CC1=C[C@H](C(=O)O)[C@@H](N)C1 Amb27975743 [0,0,0,1,0,1|2,0,0]=4 3757 B10R1.59 CC1=C[C@H](N)[C@H](C(=O)O)C1 Amb25174958 [0,0,0,1,0,1|2,0,0]=4 3758 B10R1.59 CC1CC(=O)NC1C(=O)O Amb25063723 [0,0,0,1,0,1|2,0,0]=4 3759 B10R1.59 CC1NC(=O)OC1C(=O)O Amb25046075 [0,0,0,1,0,1|1,0,0]=3 3760 B10R1.59 CC1NC(=O)OC1C(N)=O Amb27962612 [0,0,0,1,0,1|2,0,0]=4 3761 B10R1.59 CC1OC(=O)NC1C(=O)O Amb18644184 [0,0,0,1,0,1|2,0,0]=4 3762 B10R1.59 CC1SC(=O)NC1C(=O)O Amb28208417 [0,0,0,1,0,1|2,0,0]=4 3763 B10R1.59 CC1SC(=O)SC1C(=O)O Amb23504453 [0,0,0,1,0,1|1,1,0]=4 3764 B10R1.59 C[C@@H](O)[C@@H]1OC(=O)C[C@H]1N Amb27420222 [0,0,0,1,0,1|1,0,1]=4 3765 B10R1.59 C[C@@H]1CC(=O)C[C@H]1C(=O)O Amb26891990 [0,0,0,1,0,1|2,0,0]=4 3766 B10R1.59 C[C@@H]1CC(=O)N[C@@H]1C(=O)O Amb27188183 [0,0,0,1,0,1|2,0,0]=4 3767 B10R1.59 C[C@@H]1CC(=O)O[C@@H]1C(=O)O Amb28428901 [0,0,0,1,0,1|1,0,0]=3 3768 B10R1.59 C[C@@H]1NC(=O)C[C@H]1C(=O)O Amb18202489 [0,0,0,1,0,1|2,0,0]=4 3769 B10R1.59 C[C@@H]1NC(=O)O[C@@H]1C(=O)O Amb28057719 [0,0,0,1,0,1|1,0,0]=3 3770 B10R1.59 C[C@@H]1NC(=O)O[C@H]1C(=O)O Amb27630658 [0,0,0,1,0,1|1,0,0]=3 3771 B10R1.59 C[C@@H]1OC(=O)C[C@@H]1C(=O)O Amb27810863 [0,0,0,1,0,1|2,0,0]=4 3772 B10R1.59 C[C@@H]1OC(=O)N[C@H]1C(=O)O Amb25243703 [0,0,0,1,0,1|2,0,0]=4 3773 B10R1.59 C[C@@H]1SC(=O)S[C@H]1C(=O)O Amb28384455 [0,0,0,1,0,1|1,1,0]=4 3774 B10R1.59 C[C@H](O)[C@@H]1OC(=O)C[C@H]1N Amb27644620 [0,0,0,1,0,1|1,0,1]=4 3775 B10R1.59 C[C@H]1CC(=O)N[C@@H]1C(=O)O Amb28429784 [0,0,0,1,0,1|2,0,0]=4 3776 B10R1.59 C[C@H]1CC(=O)O[C@@H]1C(=O)O Amb27230560 [0,0,0,1,0,1|1,0,0]=3 3777 B10R1.59 C[C@H]1NC(=O)O[C@@H]1C(=O)O Amb28346276 [0,0,0,1,0,1|1,0,0]=3 3778 B10R1.59 C[C@H]1OC(=O)O[C@@H]1C(=O)O Amb27446650 [0,0,0,1,0,1|1,0,0]=3 3779 B10R1.59 NC1CC(=O)CC1C(=O)O Amb24523031 [0,0,0,1,0,1|1,0,0]=3 3780 B10R1.59 NC1CC(O)CC1C(=O)O Amb26583126 [0,0,0,1,0,1|1,0,1]=4 3781 B10R1.59 N[C@@H]1C[C@H](O)C[C@@H]1C(=O)O Amb32651666 [0,0,0,1,0,1|1,0,1]=4 3782 B10R1.59 N[C@@H]1C[C@H](O)C[C@@H]1C(=O)O Amb32992726 [0,0,0,1,0,1|1,0,1]=4 3783 B10R1.59 N[C@H]1CC(=O)C[C@H]1C(=O)O Amb27658876 [0,0,0,1,0,1|1,0,0]=3 3784 B10R1.59 N[C@H]1CC(O)C[C@H]1C(=O)O Amb27818161 [0,0,0,1,0,1|1,0,1]=4 3785 B10R1.59 O=C1CC(O)C(C(=O)O)N1 Amb27175349 [0,0,0,1,0,1|2,0,0]=4 3786 B10R1.59 O=C1CC(O)C(C(=O)O)O1 Amb27815003 [0,0,0,1,0,1|1,0,0]=3 3787 B10R1.59 O=C1C[C@@H](O)[C@H](C(=O)O)O1 Amb27254163 [0,0,0,1,0,1|1,0,0]=3 3788 B10R1.59 O=C1C[C@H](O)[C@@H](C(=O)O)N1 Amb27803055 [0,0,0,1,0,1|2,0,0]=4 3789 B10R1.59 O=C1OC(=O)C(C(=O)O)O1 Amb25335302 [0,0,0,1,0,1|1,0,1]=4 3790 B10R1.282 C=C1C(C(=O)O)C1C(=O)O Amb9703293 [0,0,0,1,0,1|1,0,1]=4 3791 B10R1.282 C=C1C(C(=O)O)[C@@H]1C(=O)O Amb27830032 [0,0,0,1,0,1|1,0,1]=4 3792 B10R1.282 C=C1[C@@H](C(=O)O)[C@@H]1C(=O)O Amb533202 [0,0,0,1,0,1|1,0,1]=4 3793 B10R1.282 C=C1[C@@H](C(=O)O)[C@H]1C(=O)O Amb10069605 [0,0,0,1,0,1|1,0,1]=4 3794 B10R1.282 C=C1[C@H](C(=O)O)[C@H]1C(=O)O Amb2721000 [0,0,0,1,0,1|1,0,1]=4 3795 B10R1.282 CC(=O)C1C(C)C1C(=O)O Amb27794780 [0,0,0,1,0,1|2,0,0]=4 3796 B10R1.282 CC(=O)[C@@H]1[C@@H](C)[C@H]1C(=O)O Amb27489158 [0,0,0,1,0,1|2,0,0]=4 3797 B10R1.282 CC1C(C(=O)O)C1C(=O)O Amb25113473 [0,0,0,1,0,1|1,0,0]=3 3798 B10R1.282 CC1C(C(N)=O)C1C(=O)O Amb27816551 [0,0,0,1,0,1|2,0,0]=4 3799 B10R1.282 CC1[C@@H](C(=O)O)[C@@H]1C(=O)O Amb27422045 [0,0,0,1,0,1|1,0,0]=3 3800 B10R1.282 CC1[C@H](C(=O)O)[C@H]1C(=O)O Amb25956733 [0,0,0,1,0,1|1,0,0]=3 3801 B10R1.282 N[C@@H]1[C@@H](C(=O)O)[C@H]1C(=O)O Amb27472114 [0,0,0,1,0,1|0,0,0]=2 3802 B10R1.309 CC(=O)CC1(C)CC(=O)O1 Amb27217382 [0,0,0,1,0,1|2,0,0]=4 3803 B10R1.309 C[C@]1(CC(=O)O)CC(=O)O1 Amb27827327 [0,0,0,1,0,1|1,0,0]=3 3804 B10R1.442 CC(=O)CC1(C(=O)O)CC1 Amb35789256 [0,1,0,1,0,0|2,0,0]=4 3805 B10R1.442 NC(=O)C1(CC(=O)O)CO1 Amb27617834 [0,1,0,1,0,0|2,0,0]=4 3806 B10R1.442 O=C(O)CC1(C(=O)O)CC1 Amb27410590 [0,1,0,1,0,0|1,0,0]=3 3807 B10R1.566 CC1(O)CC(N)(C(=O)O)C1 Amb24618423 [0,1,0,1,0,0|1,0,1]=4 3808 B10R1.566 CC1(O)CC(N)(C(=O)O)C1 Amb32665468 [0,1,0,1,0,0|1,0,1]=4 3809 B10R1.566 C[C@]1(O)C[C@@](N)(C(=O)O)C1 Amb26486170 [0,1,0,1,0,0|1,0,1]=4 3810 B10R1.566 C[C@]1(O)C[C@@](N)(C(=O)O)C1 Amb32665325 [0,1,0,1,0,0|1,0,1]=4 3811 B10R1.566 C[C@]1(O)C[C@](N)(C(=O)O)C1 Amb27652558 [0,1,0,1,0,0|1,0,1]=4 3812 B10R1.566 C[C@]1(O)C[C@](N)(C(=O)O)C1 Amb32663524 [0,1,0,1,0,0|1,0,1]=4 3813 B10R1.566 NC1(C(=O)O)CS(=O)(=O)C1 Amb27964280 [0,1,0,1,0,0|1,0,1]=4 3814 B10R1.14 C=C1CNC(C(=O)OC)C1 Amb27403406 [0,1,0,1,0,0|2,0,0]=4 3815 B10R1.14 C=C1CNC(C(=O)OC)C1 Amb32753510 [0,1,0,1,0,0|2,0,0]=4 3816 B10R1.14 C=C1CN[C@H](C(=O)OC)C1 Amb28314230 [0,1,0,1,0,0|2,0,0]=4 3817 B10R1.14 C=C1CN[C@H](C(=O)OC)C1 Amb32675124 [0,1,0,1,0,0|2,0,0]=4 3818 B10R1.14 COC(=O)C1=CC(=O)ON1 Amb27755311 [0,1,0,1,0,0|0,0,2]=4 3819 B10R1.14 COC(=O)C1=NOC(=O)C1 Amb22498282 [0,1,0,1,0,0|0,0,2]=4 3820 B10R1.14 COC(=O)C1C=C(O)NN1 Amb27798974 [0,1,0,1,0,0|1,0,1]=4 3821 B10R1.14 COC(=O)C1CC(=O)CN1 Amb27874114 [0,1,0,1,0,0|1,0,0]=3 3822 B10R1.14 COC(=O)C1CC(=O)CO1 Amb22755134 [0,1,0,1,0,0|2,0,0]=4 3823 B10R1.14 COC(=O)C1CC(=O)CS1 Amb18199422 [0,1,0,1,0,0|2,0,0]=4 3824 B10R1.14 COC(=O)C1CC(=O)NN1 Amb32993767 [0,1,0,1,0,0|1,0,0]=3 3825 B10R1.14 COC(=O)C1CC(O)CN1 Amb1152079 [0,1,0,1,0,0|1,0,1]=4 3826 B10R1.14 COC(=O)C1CC(O)CN1 Amb9702913 [0,1,0,1,0,0|1,0,1]=4 3827 B10R1.14 COC(=O)C1CCC(=O)C1 Amb10067354 [0,1,0,1,0,0|2,0,0]=4 3828 B10R1.14 COC(=O)C1CNC(=O)C1 Amb9175027 [0,1,0,1,0,0|2,0,0]=4 3829 B10R1.14 COC(=O)C1COC(=O)C1 Amb27985654 [0,1,0,1,0,0|1,0,0]=3 3830 B10R1.14 COC(=O)C1COC(=O)N1 Amb22432172 [0,1,0,1,0,0|2,0,0]=4 3831 B10R1.14 COC(=O)C1CSC(=O)C1 Amb27478518 [0,1,0,1,0,0|1,1,0]=4 3832 B10R1.14 COC(=O)C1C[C@@H](O)CN1 Amb33249653 [0,1,0,1,0,0|1,0,1]=4 3833 B10R1.14 COC(=O)C1C[C@H](O)CN1 Amb27785434 [0,1,0,1,0,0|1,0,1]=4 3834 B10R1.14 COC(=O)[C@@H]1CC(=O)CN1 Amb27213178 [0,1,0,1,0,0|1,0,0]=3 3835 B10R1.14 COC(=O)[C@@H]1CC(=O)CN1 Amb33743709 [0,1,0,1,0,0|1,0,0]=3 3836 B10R1.14 COC(=O)[C@@H]1CC(O)CN1 Amb32411768 [0,1,0,1,0,0|1,0,1]=4 3837 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 Amb27459673 [0,1,0,1,0,0|2,0,0]=4 3838 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 Amb24479010 [0,1,0,1,0,0|2,0,0]=4 3839 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 Amb22746545 [0,1,0,1,0,0|2,0,0]=4 3840 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 Amb2716189 [0,1,0,1,0,0|1,0,1]=4 3841 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 Amb5718689 [0,1,0,1,0,0|1,0,1]=4 3842 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 Amb22230437 [0,1,0,1,0,0|1,0,1]=4 3843 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 Amb9785165 [0,1,0,1,0,0|1,0,1]=4 3844 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 Amb23440273 [0,1,0,1,0,0|2,0,0]=4 3845 B10R1.14 COC(=O)[C@H]1CNC(=O)C1 Amb27834292 [0,1,0,1,0,0|2,0,0]=4 3846 B10R1.14 COC(=O)[C@H]1COC(=O)C1 Amb25945015 [0,1,0,1,0,0|1,0,0]=3 3847 B10R1.14 COC(=O)[C@H]1COC(=O)N1 Amb19929331 [0,1,0,1,0,0|2,0,0]=4 3848 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 Amb26926087 [0,1,0,1,0,0|1,0,1]=4 3849 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 Amb5718674 [0,1,0,1,0,0|1,0,1]=4 3850 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 Amb10069258 [0,1,0,1,0,0|1,0,1]=4 3851 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 Amb26919920 [0,1,0,1,0,0|1,0,1]=4 3852 B10R1.14 NNC(=O)C1CC(=O)NN1 Amb25703089 [0,1,0,1,0,0|2,0,0]=4 3853 B10R1.14 O=C1CC(C(=O)CCl)CO1 Amb24738564 [0,1,0,1,0,0|2,0,0]=4 3854 B10R1.14 O=C1CC(C(O)CO)NO1 Amb27396459 [0,1,0,1,0,0|0,0,2]=4 3855 B10R1.22 CC1OC(=O)CC(N)C1O Amb27234141 [0,1,0,1,0,0|1,0,1]=4 3856 B10R1.22 C[C@@H]1OC(=O)C[C@H](O)C1=O Amb27629583 [0,1,0,1,0,0|2,0,0]=4 3857 B10R1.64 C=C1COCC1CC(=O)O Amb27778654 [0,1,0,1,0,0|2,0,0]=4 3858 B10R1.64 O=C(O)CC1=CNNC1=O Amb20036826 [0,1,0,1,0,0|1,0,1]=4 3859 B10R1.64 O=C(O)CC1CCCC1=O Amb18643831 [0,1,0,1,0,0|2,0,0]=4 3860 B10R1.64 O=C(O)CC1CCNC1=O Amb18831604 [0,1,0,1,0,0|2,0,0]=4 3861 B10R1.64 O=C(O)CC1CCOC1=O Amb18644064 [0,1,0,1,0,0|1,0,0]=3 3862 B10R1.64 O=C(O)CC1CNCC1=O Amb27797524 [0,1,0,1,0,0|1,0,0]=3 3863 B10R1.64 O=C(O)CC1CNCC1O Amb27789865 [0,1,0,1,0,0|1,0,1]=4 3864 B10R1.64 O=C(O)CC1OCOC1=O Amb27595868 [0,1,0,1,0,0|1,0,0]=3 3865 B10R1.64 O=C(O)CN1CCOC1=O Amb3941353 [0,1,0,1,0,0|2,0,0]=4 3866 B10R1.64 O=C(O)CN1COCC1=O Amb2692931 [0,1,0,1,0,0|2,0,0]=4 3867 B10R1.64 O=C(O)CN1N=COC1=O Amb28193793 [0,1,0,1,0,0|1,0,1]=4 3868 B10R1.64 O=C(O)C[C@H]1NCC[C@@H]1O Amb20242369 [0,1,0,1,0,0|1,0,1]=4 3869 B10R1.64 O=C(O)C[C@H]1OCOC1=O Amb27882671 [0,1,0,1,0,0|1,0,0]=3 3870 B10R1.154 NC1(CC(=O)O)CC1CO Amb27759300 [0,1,0,1,0,0|1,0,1]=4 3871 B10R1.154 N[C@@]1(CC(=O)O)C[C@H]1CO Amb26554585 [0,1,0,1,0,0|1,0,1]=4 3872 B10R1.154 N[C@]1(CC(=O)O)CC1CO Amb28343286 [0,1,0,1,0,0|1,0,1]=4 3873 B10R1.184 COC(=O)[C@@H](N)C[C@H]1CO1 Amb27469365 [0,1,0,1,0,0|1,0,1]=4 3874 B10R1.194 C=C1CCC(C(=O)O)C1N Amb25690409 [0,1,0,1,0,0|2,0,0]=4 3875 B10R1.194 C=C1CC[C@@H](C(=O)O)[C@H]1N Amb26884928 [0,1,0,1,0,0|2,0,0]=4 3876 B10R1.194 C=C1CC[C@H](C(=O)O)[C@@H]1N Amb28345701 [0,1,0,1,0,0|2,0,0]=4 3877 B10R1.194 CC(=O)C1COC(=O)C1C Amb27863667 [0,1,0,1,0,0|2,0,0]=4 3878 B10R1.194 CC(=O)[C@@H]1COC(=O)[C@@H]1C Amb18202639 [0,1,0,1,0,0|2,0,0]=4 3879 B10R1.194 CC1C(=O)C=CC1C(=O)O Amb27408528 [0,1,0,1,0,0|2,0,0]=4 3880 B10R1.194 CC1C(=O)NCC1C(=O)O Amb27660444 [0,1,0,1,0,0|2,0,0]=4 3881 B10R1.194 CC1C(=O)OCC1C(=O)O Amb4022599 [0,1,0,1,0,0|1,0,0]=3 3882 B10R1.194 CC1C(O)CN[C@@H]1C(=O)O Amb27618170 [0,1,0,1,0,0|1,0,1]=4 3883 B10R1.194 CC1C(O)CN[C@H]1C(=O)O Amb24120643 [0,1,0,1,0,0|1,0,1]=4 3884 B10R1.194 CN1C(=O)OCC1C(=O)O Amb25800781 [0,1,0,1,0,0|2,0,0]=4 3885 B10R1.194 CN1C(=O)OC[C@@H]1C(=O)O Amb32673921 [0,1,0,1,0,0|2,0,0]=4 3886 B10R1.194 C[C@@H]1C(=O)OC[C@H]1C(=O)O Amb28429847 [0,1,0,1,0,0|1,0,0]=3 3887 B10R1.194 C[C@@H]1[C@@H](C(=O)O)NC[C@@H]1O Amb24120648 [0,1,0,1,0,0|1,0,1]=4 3888 B10R1.194 C[C@H]1C(=O)CC[C@H]1C(=O)O Amb27778459 [0,1,0,1,0,0|2,0,0]=4 3889 B10R1.194 C[C@H]1C(=O)CN[C@@H]1C(=O)O Amb18831599 [0,1,0,1,0,0|1,0,0]=3 3890 B10R1.194 C[C@H]1C(=O)NC[C@@H]1C(=O)O Amb27858486 [0,1,0,1,0,0|2,0,0]=4 3891 B10R1.194 NC1C(=O)NCC1C(=O)O Amb25683449 [0,1,0,1,0,0|1,0,0]=3 3892 B10R1.194 NC1C(=O)NCC1C(=O)O Amb32721524 [0,1,0,1,0,0|1,0,0]=3 3893 B10R1.194 NC1C(=O)NN=C1C(=O)O Amb27760350 [0,1,0,1,0,0|1,0,1]=4 3894 B10R1.194 NC1C(O)CCC1C(=O)O Amb28077395 [0,1,0,1,0,0|1,0,1]=4 3895 B10R1.194 NC1C(O)CNC1C(=O)O Amb28247453 [0,1,0,1,0,0|1,0,1]=4 3896 B10R1.194 NN1C(=O)CCC1C(=O)O Amb27839055 [0,1,0,1,0,0|2,0,0]=4 3897 B10R1.194 N[C@@H]1[C@@H](C(=O)O)NC[C@H]1O Amb24579561 [0,1,0,1,0,0|1,0,1]=4 3898 B10R1.194 N[C@H]1C(=O)NC[C@@H]1C(=O)O Amb25230623 [0,1,0,1,0,0|1,0,0]=3 3899 B10R1.194 N[C@H]1C(=O)NC[C@@H]1C(=O)O Amb32992773 [0,1,0,1,0,0|1,0,0]=3 3900 B10R1.194 N[C@H]1[C@@H](O)CC[C@@H]1C(=O)O Amb27473358 [0,1,0,1,0,0|1,0,1]=4 3901 B10R1.194 O=C(O)C1=C(Br)C(=O)ON1 Amb27624917 [0,1,0,1,0,0|0,0,2]=4 3902 B10R1.194 O=C(O)C1NCC(O)C1O Amb24120646 [0,1,0,1,0,0|1,0,1]=4 3903 B10R1.194 O=C(O)[C@@H]1NC[C@@H](O)[C@@H]1O Amb27258648 [0,1,0,1,0,0|1,0,1]=4 3904 B10R1.194 O=C(O)[C@@H]1NC[C@@H](O)[C@H]1O Amb24546981 [0,1,0,1,0,0|1,0,1]=4 3905 B10R1.194 O=C(O)[C@@H]1NC[C@H](O)[C@@H]1O Amb24605220 [0,1,0,1,0,0|1,0,1]=4 3906 B10R1.194 O=C(O)[C@@H]1NC[C@H](O)[C@H]1O Amb25259269 [0,1,0,1,0,0|1,0,1]=4 3907 B10R1.194 O=C(O)[C@H]1NCC(O)C1O Amb27647851 [0,1,0,1,0,0|1,0,1]=4 3908 B10R1.194 O=C(O)[C@H]1NCC(O)[C@@H]1O Amb28203927 [0,1,0,1,0,0|1,0,1]=4 3909 B10R1.194 O=C(O)[C@H]1NC[C@@H](O)[C@@H]1O Amb27252019 [0,1,0,1,0,0|1,0,1]=4 3910 B10R1.194 O=C(O)[C@H]1NC[C@@H](O)[C@H]1O Amb27246425 [0,1,0,1,0,0|1,0,1]=4 3911 B10R1.194 O=C(O)[C@H]1NC[C@H](O)[C@@H]1O Amb24120647 [0,1,0,1,0,0|1,0,1]=4 3912 B10R1.194 O=C1OCC(C(=O)O)C1O Amb26405203 [0,1,0,1,0,0|1,0,0]=3 3913 B10R1.408 CNC(=O)C1CC1C(=O)O Amb17606124 [0,1,0,1,0,0|2,0,0]=4 3914 B10R1.408 CNC(=O)[C@@H]1C[C@H]1C(=O)O Amb24055632 [0,1,0,1,0,0|2,0,0]=4 3915 B10R1.408 COC(=O)C1CC1C(=O)Cl Amb25104983 [0,1,0,1,0,0|2,0,0]=4 3916 B10R1.408 COC(=O)C1CC1C(=O)O Amb19314991 [0,1,0,1,0,0|1,0,0]=3 3917 B10R1.408 COC(=O)C1CC1C(=O)[O-] Amb34916021 [0,1,0,1,0,0|1,0,1]=4 3918 B10R1.408 COC(=O)C1CC1C(C)=O Amb26641869 [0,1,0,1,0,0|2,0,0]=4 3919 B10R1.408 COC(=O)C1CC1C(N)=O Amb26964635 [0,1,0,1,0,0|2,0,0]=4 3920 B10R1.408 COC(=O)C1OC1C(=O)O Amb25072766 [0,1,0,1,0,0|1,0,0]=3 3921 B10R1.408 COC(=O)C1OC1C(C)=O Amb26444891 [0,1,0,1,0,0|2,0,0]=4 3922 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)Cl Amb25306534 [0,1,0,1,0,0|2,0,0]=4 3923 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O Amb25949202 [0,1,0,1,0,0|1,0,0]=3 3924 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(C)=O Amb28052590 [0,1,0,1,0,0|2,0,0]=4 3925 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O Amb24183508 [0,1,0,1,0,0|1,0,0]=3 3926 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(C)=O Amb25179679 [0,1,0,1,0,0|2,0,0]=4 3927 B10R1.408 COC(=O)[C@@H]1O[C@H]1C(=O)O Amb25174796 [0,1,0,1,0,0|1,0,0]=3 3928 B10R1.408 COC(=O)[C@@H]1O[C@H]1C(C)=O Amb27455466 [0,1,0,1,0,0|2,0,0]=4 3929 B10R1.408 COC(=O)[C@H]1C[C@@H]1C(=O)O Amb27254210 [0,1,0,1,0,0|1,0,0]=3 3930 B10R1.408 COC(=O)[C@H]1C[C@H]1C(=O)O Amb26397116 [0,1,0,1,0,0|1,0,0]=3 3931 B10R1.408 COC(=O)[C@H]1C[C@H]1C(C)=O Amb25377828 [0,1,0,1,0,0|2,0,0]=4 3932 B10R1.408 COC(=O)[C@H]1O[C@@H]1C(=O)O Amb24745530 [0,1,0,1,0,0|1,0,0]=3 3933 B10R1.408 COC(=O)[C@H]1O[C@H]1C(=O)O Amb24601831 [0,1,0,1,0,0|1,0,0]=3 3934 B10R1.408 O=C(O)C1CC1C(=O)CBr Amb27626250 [0,1,0,1,0,0|2,0,0]=4 3935 B10R1.413 COC(=O)C1CS(=O)(=O)N1 Amb25288257 [0,1,0,1,0,0|1,0,1]=4 3936 B10R1.424 COC(=O)C1(C)CC(=O)C1 Amb22406222 [0,1,0,1,0,0|2,0,0]=4 3937 B10R1.424 COC(=O)C1(C)CC(=O)O1 Amb27615111 [0,1,0,1,0,0|1,0,0]=3 3938 B10R1.424 COC(=O)C1(F)CC(=O)C1 Amb34136231 [0,1,0,1,0,0|2,0,0]=4 3939 B10R1.424 COC(=O)C1(N)CC(O)C1 Amb25310696 [0,1,0,1,0,0|1,0,1]=4 3940 B10R1.424 COC(=O)C1(N)CC(O)C1 Amb32674987 [0,1,0,1,0,0|1,0,1]=4 3941 B10R1.424 COC(=O)[C@]1(C)CC(=O)O1 Amb27949184 [0,1,0,1,0,0|1,0,0]=3 3942 B10R1.424 COC(=O)[C@]1(N)C[C@@H](O)C1 Amb32674988 [0,1,0,1,0,0|1,0,1]=4 3943 B10R1.113 C[C@@H]1C[C@H](C(=O)O)NCO1 Amb27618567 [0,1,0,1,0,0|1,0,1]=4 3944 B10R1.113 NC(=O)C1CC(=O)CCN1 Amb18202632 [0,1,0,1,0,0|2,0,0]=4 3945 B10R1.113 O=C(O)C1CC(O)CCN1 Amb24117443 [0,1,0,1,0,0|1,0,1]=4 3946 B10R1.113 O=C(O)C1CNCC(O)C1 Amb2695137 [0,1,0,1,0,0|1,0,1]=4 3947 B10R1.113 O=C(O)C1CNCC(O)C1 Amb8630089 [0,1,0,1,0,0|1,0,1]=4 3948 B10R1.113 O=C(O)C1CS(=O)CCN1 Amb26024462 [0,1,0,1,0,0|2,0,0]=4 3949 B10R1.113 O=C(O)C1CS(=O)CCN1 Amb33038317 [0,1,0,1,0,0|2,0,0]=4 3950 B10R1.113 O=C(O)[C@@H]1CNC[C@@H](O)C1 Amb27186916 [0,1,0,1,0,0|1,0,1]=4 3951 B10R1.113 O=C(O)[C@@H]1CNC[C@H](O)C1 Amb27188671 [0,1,0,1,0,0|1,0,1]=4 3952 B10R1.113 O=C(O)[C@@H]1CS(=O)CCN1 Amb27444621 [0,1,0,1,0,0|2,0,0]=4 3953 B10R1.113 O=C(O)[C@@H]1C[C@@H](O)CCN1 Amb22388540 [0,1,0,1,0,0|1,0,1]=4 3954 B10R1.113 O=C(O)[C@@H]1C[C@H](O)CCN1 Amb22386828 [0,1,0,1,0,0|1,0,1]=4 3955 B10R1.113 O=C(O)[C@@H]1C[C@H](O)CNN1 Amb25949203 [0,1,0,1,0,0|1,0,1]=4 3956 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 Amb20241913 [0,1,0,1,0,0|1,0,1]=4 3957 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 Amb22748263 [0,1,0,1,0,0|1,0,1]=4 3958 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 Amb30982057 [0,1,0,1,0,0|1,0,1]=4 3959 B10R1.113 O=C(O)[C@H]1C[C@H](O)CNN1 Amb27450594 [0,1,0,1,0,0|1,0,1]=4 3960 B10R1.113 O=C1C=CCC(C(=O)O)C1 Amb18643491 [0,1,0,1,0,0|2,0,0]=4 3961 B10R1.113 O=C1CC(C(=O)O)CCN1 Amb33531218 [0,1,0,1,0,0|2,0,0]=4 3962 B10R1.113 O=C1CC(C(=O)O)CNN1 Amb22546429 [0,1,0,1,0,0|1,0,0]=3 3963 B10R1.113 O=C1CC(C(=O)O)CNN1 Amb28144294 [0,1,0,1,0,0|1,0,0]=3 3964 B10R1.113 O=C1CC(C(=O)O)N=CN1 Amb24099645 [0,1,0,1,0,0|1,0,1]=4 3965 B10R1.113 O=C1CCCC(C(=O)O)C1 Amb6305244 [0,1,0,1,0,0|2,0,0]=4 3966 B10R1.113 O=C1CCC[C@@H](C(=O)O)C1 Amb28050152 [0,1,0,1,0,0|2,0,0]=4 3967 B10R1.113 O=C1CCNC(C(=O)O)C1 Amb13889088 [0,1,0,1,0,0|1,0,0]=3 3968 B10R1.113 O=C1CCNC(C(=O)O)C1 Amb13889089 [0,1,0,1,0,0|1,0,0]=3 3969 B10R1.113 O=C1CCN[C@@H](C(=O)O)C1 Amb27977165 [0,1,0,1,0,0|1,0,0]=3 3970 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 Amb13889084 [0,1,0,1,0,0|1,0,0]=3 3971 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 Amb2699956 [0,1,0,1,0,0|1,0,0]=3 3972 B10R1.113 O=C1CCOC(C(=O)O)C1 Amb22496784 [0,1,0,1,0,0|2,0,0]=4 3973 B10R1.113 O=C1CNCC(C(=O)O)C1 Amb27244770 [0,1,0,1,0,0|1,0,0]=3 3974 B10R1.113 O=C1CNC[C@H](C(=O)O)N1 Amb27398104 [0,1,0,1,0,0|2,0,0]=4 3975 B10R1.113 O=C1COCC(C(=O)O)N1 Amb18862478 [0,1,0,1,0,0|2,0,0]=4 3976 B10R1.113 O=C1COCC(C(=O)O)O1 Amb27209316 [0,1,0,1,0,0|2,0,0]=4 3977 B10R1.113 O=C1COC[C@@H](C(=O)O)N1 Amb27164013 [0,1,0,1,0,0|2,0,0]=4 3978 B10R1.113 O=C1NC(C(=O)O)CCO1 Amb28121893 [0,1,0,1,0,0|2,0,0]=4 3979 B10R1.234 CCC1(C(=O)O)CC(=O)C1 Amb33204270 [0,1,0,1,0,0|2,0,0]=4 3980 B10R1.234 CSC1(C(=O)O)CC(=O)C1 Amb27754200 [0,1,0,1,0,0|2,0,0]=4 3981 B10R1.234 N#CC1(C(=O)O)CC(=O)C1 Amb27838979 [0,1,0,1,0,0|1,0,1]=4 3982 B10R1.234 NCC1(C(=O)O)CC(=O)C1 Amb26392240 [0,1,0,1,0,0|1,0,0]=3 3983 B10R1.234 NCC1(C(=O)O)CC(O)C1 Amb24413153 [0,1,0,1,0,0|1,0,1]=4 3984 B10R1.234 NCC1(C(=O)O)CC(O)C1 Amb32932455 [0,1,0,1,0,0|1,0,1]=4 3985 B10R1.234 O=C1CC(CCl)(C(=O)O)O1 Amb27185492 [0,1,0,1,0,0|1,0,0]=3 3986 B10R1.234 O=C1CC(CF)(C(=O)O)C1 Amb33378697 [0,1,0,1,0,0|2,0,0]=4 3987 B10R1.361 CC(=O)[C@H]1CC[C@@H]1C(=O)O Amb28252580 [0,1,0,1,0,0|2,0,0]=4 3988 B10R1.361 NC(=O)C1CCC1C(=O)O Amb26027341 [0,1,0,1,0,0|2,0,0]=4 3989 B10R1.361 NC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb27216173 [0,1,0,1,0,0|2,0,0]=4 3990 B10R1.361 NC(=O)[C@@H]1CC[C@H]1C(=O)O Amb24366239 [0,1,0,1,0,0|2,0,0]=4 3991 B10R1.361 O=C(O)C1CCC1C(=O)Cl Amb24753887 [0,1,0,1,0,0|2,0,0]=4 3992 B10R1.361 O=C(O)C1CCC1C(=O)O Amb19373431 [0,1,0,1,0,0|1,0,0]=3 3993 B10R1.361 O=C(O)[C@@H]1C=C[C@H]1C(=O)O Amb27469606 [0,1,0,1,0,0|1,0,0]=3 3994 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O Amb2609028 [0,1,0,1,0,0|1,0,0]=3 3995 B10R1.361 O=C(O)[C@@H]1CN[C@H]1C(=O)O Amb25956288 [0,1,0,1,0,0|0,0,0]=2 3996 B10R1.361 O=C(O)[C@H]1C=C[C@H]1C(=O)O Amb27831905 [0,1,0,1,0,0|1,0,0]=3 3997 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O Amb25267014 [0,1,0,1,0,0|1,0,0]=3 3998 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O Amb16230761 [0,1,0,1,0,0|1,0,0]=3 3999 B10R1.361 O=C(O)[C@H]1CN[C@@H]1C(=O)O Amb25225066 [0,1,0,1,0,0|0,0,0]=2 4000 B10R1.361 O=C(O)[C@H]1NC[C@H]1C(=O)O Amb26967619 [0,1,0,1,0,0|0,0,0]=2 4001 B10R1.31 COC1CNC(C(=O)O)C1 Amb33530569 [0,1,0,1,0,0|1,0,1]=4 4002 B10R1.31 COC1CN[C@H](C(=O)O)C1 Amb26037119 [0,1,0,1,0,0|1,0,1]=4 4003 B10R1.31 CO[C@@H]1CN[C@@H](C(=O)O)C1 Amb24112984 [0,1,0,1,0,0|1,0,1]=4 4004 B10R1.31 CO[C@@H]1CN[C@H](C(=O)O)C1 Amb24514992 [0,1,0,1,0,0|1,0,1]=4 4005 B10R1.31 CO[C@H]1CN[C@@H](C(=O)O)C1 Amb25231723 [0,1,0,1,0,0|1,0,1]=4 4006 B10R1.31 CO[C@H]1CN[C@H](C(=O)O)C1 Amb25959597 [0,1,0,1,0,0|1,0,1]=4 4007 B10R1.31 NO[C@@H]1CN[C@H](C(=O)O)C1 Amb25188204 [0,1,0,1,0,0|1,0,1]=4 4008 B10R1.31 O=C(O)C1CC(OS)CN1 Amb27446350 [0,1,0,1,0,0|1,0,1]=4 4009 B10R1.31 O=C(O)C1CC\C(=N/O)C1 Amb23453115 [0,1,0,1,0,0|2,0,0]=4 4010 B10R1.31 O=C(O)C1C\C(=C\F)CN1 Amb27838047 [0,1,0,1,0,0|2,0,0]=4 4011 B10R1.31 O=C(O)[C@@H]1CC(CO)CN1 Amb25917979 [0,1,0,1,0,0|1,0,1]=4 4012 B10R1.31 O=C(O)[C@@H]1CC(OS)CN1 Amb27983817 [0,1,0,1,0,0|1,0,1]=4 4013 B10R1.31 O=C(O)[C@@H]1C[C@@H](CO)CN1 Amb24514873 [0,1,0,1,0,0|1,0,1]=4 4014 B10R1.31 O=C(O)[C@@H]1C\C(=C/F)CN1 Amb25141421 [0,1,0,1,0,0|2,0,0]=4 4015 B10R1.31 O=C(O)[C@H]1CC\C(=N/O)C1 Amb25888967 [0,1,0,1,0,0|2,0,0]=4 4016 B10R1.116 NC(C(=O)O)C1CCC1O Amb33127592 [0,1,0,1,0,0|1,0,1]=4 4017 B10R1.116 N[C@@H](C(=O)O)C1CCC1O Amb33065605 [0,1,0,1,0,0|1,0,1]=4 4018 B10R1.116 N[C@H](C(=O)O)C1CCC1O Amb32788587 [0,1,0,1,0,0|1,0,1]=4 4019 B10R1.116 O=C(O)C(O)C1CCC1=O Amb28349882 [0,1,0,1,0,0|2,0,0]=4 4020 B10R1.155 NC(C(=O)O)C1CC1CO Amb28076860 [0,1,0,1,0,0|1,0,1]=4 4021 B10R1.204 NC(CC1=CCC1)C(=O)O Amb28239360 [0,1,0,1,0,0|2,0,0]=4 4022 B10R1.244 COP1(=O)CC(C)C(=O)O1 Amb24349767 [0,1,0,1,0,0|2,0,0]=4 4023 B10R1.244 C[C@]1(CO)C[C@@H](N)C(=O)O1 Amb27202516 [0,1,0,1,0,0|1,0,1]=4 4024 B10R1.412 COC(=O)C1NC(=O)C1C Amb27841623 [0,1,0,1,0,0|2,0,0]=4 4025 B10R1.412 COC(=O)C1NC(=O)C1N Amb28386017 [0,1,0,1,0,0|1,0,0]=3 4026 B10R1.412 COC(=O)[C@H]1NC(=O)[C@H]1C Amb27630717 [0,1,0,1,0,0|2,0,0]=4 4027 B10R1.490 COC1CC(N)(C(=O)O)C1 Amb25054956 [0,1,0,1,0,0|1,0,1]=4 4028 B10R1.490 COC1CC(N)(C(=O)O)C1 Amb31217506 [0,1,0,1,0,0|1,0,1]=4 4029 B10R1.490 CO[C@H]1C[C@](N)(C(=O)O)C1 Amb33328630 [0,1,0,1,0,0|1,0,1]=4 4030 B10R1.490 CO[C@H]1C[C@](N)(C(=O)O)C1 Amb33328680 [0,1,0,1,0,0|1,0,1]=4 4031 B10R1.490 NC1(C(=O)O)CC(CO)C1 Amb25223041 [0,1,0,1,0,0|1,0,1]=4 4032 B10R1.490 N[C@]1(C(=O)O)C[C@@H](CO)C1 Amb25292195 [0,1,0,1,0,0|1,0,1]=4 4033 B10R1.490 N[C@]1(C(=O)O)C[C@H](CO)C1 Amb28193273 [0,1,0,1,0,0|1,0,1]=4 4034 B10R1.490 N[C@]1(C(=O)O)C[C@H](CO)C1 Amb34912855 [0,1,0,1,0,0|1,0,1]=4 4035 B10R1.119 N[C@@H]1C(=O)OC[C@@H](O)[C@H]1O Amb27640709 [0,1,0,1,0,0|1,0,1]=4 4036 B10R1.119 N[C@H]1C(=O)OC[C@@H](O)[C@@H]1O Amb27460862 [0,1,0,1,0,0|1,0,1]=4 4037 B10R2.64 O=C1C[C@@H]2C(=O)O[C@@H]2C1 Amb26034562 [0,0,0,2,0,0|2,0,0]=4 4038 B10R2.64 O=C1C[C@@H]2OC(=O)[C@@H]2C1 Amb27793026 [0,0,0,2,0,0|2,0,0]=4 4039 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [1,0,0,0,0,1|2,0,0]=4 4040 B8R0.28 C=C(C)CSCC(=O)O Amb6280447 [1,0,0,0,0,1|2,0,0]=4 4041 B8R0.28 C=C(F)CCCC(=O)O Amb22641515 [1,0,0,0,0,1|2,0,0]=4 4042 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [1,0,0,0,0,1|1,0,0]=3 4043 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [1,0,0,0,0,1|2,0,0]=4 4044 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [1,0,0,0,0,1|2,0,0]=4 4045 B8R0.28 CC(=O)CCNC(C)=O Amb17102868 [1,0,0,0,0,1|2,0,0]=4 4046 B8R0.28 CC(=O)CCOC(C)=O Amb4605918 [1,0,0,0,0,1|2,0,0]=4 4047 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [1,0,0,0,0,1|1,0,0]=3 4048 B8R0.28 CC(=O)CSCC(=O)[O-] Amb20622616 [1,0,0,0,0,1|1,0,1]=4 4049 B8R0.28 CC(=O)CSCC(N)=O Amb27411260 [1,0,0,0,0,1|2,0,0]=4 4050 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [1,0,0,0,0,1|1,0,0]=3 4051 B8R0.28 CC(=O)NCCC(N)=O Amb8997734 [1,0,0,0,0,1|2,0,0]=4 4052 B8R0.28 CC(=O)NCCS(=O)O Amb27638053 [1,0,0,0,0,1|2,0,0]=4 4053 B8R0.28 CC(=O)NOCC(=O)O Amb25921073 [1,0,0,0,0,1|2,0,0]=4 4054 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [1,0,0,0,0,1|1,0,0]=3 4055 B8R0.28 CC(=O)OCCC(N)=O Amb25921090 [1,0,0,0,0,1|2,0,0]=4 4056 B8R0.28 CC(=O)SCCC(=O)Cl Amb26637117 [1,0,0,0,0,1|2,0,0]=4 4057 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [1,0,0,0,0,1|1,0,0]=3 4058 B8R0.28 CC(=O)\C=C\CC(=O)O Amb26900226 [1,0,0,0,0,1|1,0,1]=4 4059 B8R0.28 CC(C)=CCCC(=O)O Amb10601609 [1,0,0,0,0,1|2,0,0]=4 4060 B8R0.28 CC(O)CCCC(=O)O Amb2371277 [1,0,0,0,0,1|1,0,1]=4 4061 B8R0.28 CC(O)CNCC(=O)O Amb9359979 [1,0,0,0,0,1|1,0,1]=4 4062 B8R0.28 CC(O)COCC(=O)O Amb27968624 [1,0,0,0,0,1|1,0,1]=4 4063 B8R0.28 CC(O)CSCC(=O)O Amb19005278 [1,0,0,0,0,1|1,0,1]=4 4064 B8R0.28 N=C(N)CSCC(=O)O Amb28040821 [1,0,0,0,0,1|2,0,0]=4 4065 B8R0.28 N=C(N)NCCC(=O)O Amb3940732 [1,0,0,0,0,1|2,0,0]=4 4066 B8R0.28 N=C(N)SCCC(=O)O Amb1043190 [1,0,0,0,0,1|2,0,0]=4 4067 B8R0.28 NC(=O)CCCC(=O)O Amb5718388 [1,0,0,0,0,1|1,0,0]=3 4068 B8R0.28 NC(=O)CCSC(N)=O Amb28045967 [1,0,0,0,0,1|2,0,0]=4 4069 B8R0.28 NC(=O)CNCC(N)=O Amb6714597 [1,0,0,0,0,1|2,0,0]=4 4070 B8R0.28 NC(=O)COCC(=O)O Amb3429648 [1,0,0,0,0,1|1,0,0]=3 4071 B8R0.28 NC(=O)COCC(N)=O Amb4442013 [1,0,0,0,0,1|2,0,0]=4 4072 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [1,0,0,0,0,1|1,0,0]=3 4073 B8R0.28 NC(=O)CSCC(N)=O Amb6374270 [1,0,0,0,0,1|2,0,0]=4 4074 B8R0.28 NC(=O)NCCC(=O)O Amb6567400 [1,0,0,0,0,1|1,0,0]=3 4075 B8R0.28 NC(=O)NOCC(=O)O Amb28285979 [1,0,0,0,0,1|2,0,0]=4 4076 B8R0.28 NC(=O)SCCC(=O)O Amb28340935 [1,0,0,0,0,1|1,0,0]=3 4077 B8R0.28 NC(=S)CCCC(=O)O Amb27956588 [1,0,0,0,0,1|1,1,0]=4 4078 B8R0.28 NC(=S)NCCC(=O)O Amb27815302 [1,0,0,0,0,1|1,1,0]=4 4079 B8R0.28 NC(=S)SCCC(=O)O Amb4007391 [1,0,0,0,0,1|1,1,0]=4 4080 B8R0.28 O=C(Cl)CCCC(=O)Cl Amb3940242 [1,0,0,0,0,1|2,0,0]=4 4081 B8R0.28 O=C(Cl)COCC(=O)Cl Amb22228240 [1,0,0,0,0,1|2,0,0]=4 4082 B8R0.28 O=C(O)C=C=CC(=O)O Amb17593335 [1,0,0,0,0,1|0,0,2]=4 4083 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [1,0,0,0,0,1|0,0,0]=2 4084 B8R0.28 O=C(O)CCC[N+](=O)[O-] Amb24711043 [1,0,0,0,0,1|1,0,1]=4 4085 B8R0.28 O=C(O)CCO[N+](=O)[O-] Amb21953424 [1,0,0,0,0,1|1,0,1]=4 4086 B8R0.28 O=C(O)CNCC(=O)O Amb3940364 [1,0,0,0,0,1|0,0,0]=2 4087 B8R0.28 O=C(O)COCC(=O)O Amb4433967 [1,0,0,0,0,1|0,0,0]=2 4088 B8R0.28 O=C(O)CSCC(=O)O Amb6608738 [1,0,0,0,0,1|0,0,0]=2 4089 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [1,0,0,0,0,1|0,0,1]=3 4090 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [1,0,0,0,0,1|0,0,1]=3 4091 B8R0.28 O=C([O-])COCC(=O)O Amb9787328 [1,0,0,0,0,1|0,0,1]=3 4092 B10R0.96 CC(=O)CC(C)CCC(=O)O Amb32667485 [0,0,0,0,0,2|2,0,0]=4 4093 B10R0.96 CC(=O)CCC(C)CC(=O)O Amb32668383 [0,0,0,0,0,2|2,0,0]=4 4094 B10R0.96 CC(=O)NC(C)CCC(=O)O Amb27492061 [0,0,0,0,0,2|2,0,0]=4 4095 B10R0.96 CC(=O)NCC(O)CC(=O)O Amb28079665 [0,0,0,0,0,2|2,0,0]=4 4096 B10R0.96 CC(CCC(=O)O)CC(=O)O Amb6608722 [0,0,0,0,0,2|1,0,0]=3 4097 B10R0.96 CC(CCC(=O)O)NC(N)=O Amb27492066 [0,0,0,0,0,2|2,0,0]=4 4098 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O Amb22746285 [0,0,0,0,0,2|1,0,0]=3 4099 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O Amb22348459 [0,0,0,0,0,2|1,0,0]=3 4100 B10R0.96 NC(=O)NCC(O)CC(=O)O Amb28079675 [0,0,0,0,0,2|2,0,0]=4 4101 B10R0.96 NC(CCC(=O)O)CC(=O)O Amb8631356 [0,0,0,0,0,2|0,0,0]=2 4102 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O Amb16232070 [0,0,0,0,0,2|0,0,0]=2 4103 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O Amb22750585 [0,0,0,0,0,2|0,0,0]=2 4104 B10R0.96 O=C(O)CCC(O)CC(=O)O Amb22727761 [0,0,0,0,0,2|1,0,0]=3 4105 B10R0.96 O=C(O)CNC(=O)CC(=O)O Amb18800491 [0,0,0,0,0,2|1,0,1]=4 4106 B10R0.98 CC(=O)CCCC(N)C(=O)O Amb33036722 [0,0,0,0,0,2|1,0,0]=3 4107 B10R0.98 CC(=O)CCCC(N)C(N)=O Amb33308963 [0,0,0,0,0,2|2,0,0]=4 4108 B10R0.98 CC(=O)CCC[C@@H](N)C(=O)O Amb32937025 [0,0,0,0,0,2|1,0,0]=3 4109 B10R0.98 CC(=O)CCC[C@H](N)C(=O)O Amb32865922 [0,0,0,0,0,2|1,0,0]=3 4110 B10R0.98 CC(=O)CCNC(C)C(=O)O Amb32675829 [0,0,0,0,0,2|2,0,0]=4 4111 B10R0.98 CC(=O)NCCC(C)C(=O)O Amb27270987 [0,0,0,0,0,2|2,0,0]=4 4112 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O Amb26659493 [0,0,0,0,0,2|1,0,0]=3 4113 B10R0.98 CC(=O)NCC[C@H](O)C(=O)O Amb27670710 [0,0,0,0,0,2|2,0,0]=4 4114 B10R0.98 CC(C)=CCCC(N)C(=O)O Amb27001257 [0,0,0,0,0,2|2,0,0]=4 4115 B10R0.98 CC(C)=CCC[C@@H](N)C(=O)O Amb33065465 [0,0,0,0,0,2|2,0,0]=4 4116 B10R0.98 CC(C)=CCC[C@H](N)C(=O)O Amb25383796 [0,0,0,0,0,2|2,0,0]=4 4117 B10R0.98 CC(C)=CSCC(N)C(=O)O Amb25386034 [0,0,0,0,0,2|2,0,0]=4 4118 B10R0.98 CC(CCNC(N)=O)C(=O)O Amb27270986 [0,0,0,0,0,2|2,0,0]=4 4119 B10R0.98 CC(NCCC(=O)O)C(=O)O Amb18098310 [0,0,0,0,0,2|1,0,0]=3 4120 B10R0.98 CC(O)CCCC(N)C(=O)O Amb32941153 [0,0,0,0,0,2|1,0,1]=4 4121 B10R0.98 CC(O)CCC[C@@H](N)C(=O)O Amb33066250 [0,0,0,0,0,2|1,0,1]=4 4122 B10R0.98 CC(O)CCC[C@H](N)C(=O)O Amb33127508 [0,0,0,0,0,2|1,0,1]=4 4123 B10R0.98 CC(SCCC(=O)O)C(=O)O Amb17501234 [0,0,0,0,0,2|1,0,0]=3 4124 B10R0.98 CC(SCCC(=O)O)C(N)=O Amb9202514 [0,0,0,0,0,2|2,0,0]=4 4125 B10R0.98 CC(S\C=C\C(=O)O)C(=O)O Amb18647961 [0,0,0,0,0,2|1,0,1]=4 4126 B10R0.98 N=C(N)NCC[C@@H](N)C(=O)O Amb27266501 [0,0,0,0,0,2|2,0,0]=4 4127 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O Amb20240584 [0,0,0,0,0,2|2,0,0]=4 4128 B10R0.98 NC(=O)NCCC(O)C(=O)O Amb27670719 [0,0,0,0,0,2|2,0,0]=4 4129 B10R0.98 NC(=O)NCC[C@H](O)C(=O)O Amb27670720 [0,0,0,0,0,2|2,0,0]=4 4130 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb22740152 [0,0,0,0,0,2|0,0,0]=2 4131 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb6334822 [0,0,0,0,0,2|0,0,0]=2 4132 B10R0.98 NC(CSC=C(Cl)Cl)C(=O)O Amb27673666 [0,0,0,0,0,2|2,0,0]=4 4133 B10R0.98 NC(CSCC(=O)O)C(=O)O Amb6740297 [0,0,0,0,0,2|0,0,0]=2 4134 B10R0.98 NC(C\C=C\B(O)O)C(=O)O Amb27673479 [0,0,0,0,0,2|1,0,1]=4 4135 B10R0.98 NC(N)=NCCC(N)C(=O)O Amb22492813 [0,0,0,0,0,2|2,0,0]=4 4136 B10R0.98 NC(N)=NCC[C@H](N)C(=O)O Amb33842525 [0,0,0,0,0,2|2,0,0]=4 4137 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O Amb6600090 [0,0,0,0,0,2|0,0,0]=2 4138 B10R0.98 N[C@@H](CSC=C(Cl)Cl)C(=O)O Amb25384396 [0,0,0,0,0,2|2,0,0]=4 4139 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb16232500 [0,0,0,0,0,2|0,0,0]=2 4140 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb6336477 [0,0,0,0,0,2|0,0,0]=2 4141 B10R0.98 N[C@@H](C\C=C\B(O)O)C(=O)O Amb25384261 [0,0,0,0,0,2|1,0,1]=4 4142 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Amb8629031 [0,0,0,0,0,2|0,0,0]=2 4143 B10R0.98 N[C@H](C\C=C\C(=O)O)C(=O)O Amb25383155 [0,0,0,0,0,2|0,0,0]=2 4144 B10R0.98 O=C(O)CCCC(O)C(=O)O Amb21963897 [0,0,0,0,0,2|1,0,0]=3 4145 B10R0.98 O=C(O)CONC(=O)C(=O)O Amb16185780 [0,0,0,0,0,2|1,0,1]=4 4146 B10R0.98 O=C(O)CSCC(=O)C(=O)O Amb33069681 [0,0,0,0,0,2|1,0,1]=4 4147 B10R0.98 O=C(O)C\C=C/C(=O)C(=O)O Amb27269966 [0,0,0,0,0,2|1,0,1]=4